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

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

CAS: 944895-22-1

Formula: C9H11NO4S2

SMILES: OC(=O)C1=C(C=CS1)S(=O)(=O)N1CCCC1

IUPAC: 3-(pyrrolidine-1-sulfonyl)thiophene-2-carboxylic acid

InChI: InChI=1S/C9H11NO4S2/c11-9(12)8-7(3-6-15-8)16(13,14)10-4-1-2-5-10/h3,6H,1-2,4-5H2,(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	0
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	ZEMWQHYHFKHRHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.7
Topological Polar Surface Area	74.68
Polarizability	23.46
Ring Count	2
Rotatable Bond Count	2

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