1-(thiophene-2-sulfonyl)pyrrolidine-2-carboxylic acid

1-(thiophene-2-sulfonyl)pyrrolidine-2-carboxylic acid

CAS: 82068-23-3

Formula: C9H11NO4S2

SMILES: OC(=O)C1CCCN1S(=O)(=O)C1=CC=CS1

IUPAC: 1-(thiophene-2-sulfonyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1/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)

Composition: C (41.37%), H (4.24%), N (5.36%), O (24.49%), S (24.54%)

Molar Mass: 261.31

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	261.012950186
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NHTQCMVKWAKECO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.65
Topological Polar Surface Area	74.68
Polarizability	23.48
Ring Count	2
Rotatable Bond Count	2

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