Home Carboxys tert-butyl 3-sulfamoylpyrrolidine-1-carboxylate

tert-butyl 3-sulfamoylpyrrolidine-1-carboxylate

CAS No.:
1394669-98-7
Catalog Number:
AG01A16Q
Molecular Formula:
C9H18N2O4S
Molecular Weight:
250.3152
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Product Description
Catalog Number:
AG01A16Q
Chemical Name:
tert-butyl 3-sulfamoylpyrrolidine-1-carboxylate
CAS Number:
1394669-98-7
Molecular Formula:
C9H18N2O4S
Molecular Weight:
250.3152
MDL Number:
MFCD22392191
IUPAC Name:
tert-butyl 3-sulfamoylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H18N2O4S/c1-9(2,3)15-8(12)11-5-4-7(6-11)16(10,13)14/h7H,4-6H2,1-3H3,(H2,10,13,14)
InChI Key:
AGBDEMSPPIPSGR-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)S(=O)(=O)N)OC(C)(C)C
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.313g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties