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Home Sulfos 1-(thien-2-ylsulfonyl)proline

1-(thien-2-ylsulfonyl)proline

CAS No.:
82068-23-3
Catalog Number:
AG00J4PL
Molecular Formula:
C9H11NO4S2
Molecular Weight:
261.3179
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Product Description
Catalog Number:
AG00J4PL
Chemical Name:
1-(thien-2-ylsulfonyl)proline
CAS Number:
82068-23-3
Molecular Formula:
C9H11NO4S2
Molecular Weight:
261.3179
IUPAC Name:
1-thiophen-2-ylsulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C9H11NO4S2/c11-9(12)7-3-1-5-10(7)16(13,14)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2,(H,11,12)
InChI Key:
NHTQCMVKWAKECO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1S(=O)(=O)c1cccs1
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.013g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.31g/mol
Monoisotopic Mass:
261.013g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties