Home Sulfos 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylic acid

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylic acid

CAS No.:
1025058-85-8
Catalog Number:
AG01EKKE
Molecular Formula:
C11H17N3O4S
Molecular Weight:
287.3354
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Product Description
Catalog Number:
AG01EKKE
Chemical Name:
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
CAS Number:
1025058-85-8
Molecular Formula:
C11H17N3O4S
Molecular Weight:
287.3354
MDL Number:
MFCD07366391
IUPAC Name:
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C11H17N3O4S/c1-7-10(8(2)13-12-7)19(17,18)14-5-3-4-9(6-14)11(15)16/h9H,3-6H2,1-2H3,(H,12,13)(H,15,16)
InChI Key:
BGUYMWFCTCFMEF-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)c1c(C)n[nH]c1C
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
287.334g/mol
Monoisotopic Mass:
287.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties