2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide

C12H16N4O2S — CID 106598475

IUPAC2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C12H16N4O2S/c13-8-11-12(2-1-5-15-11)19(17,18)16-7-4-10-3-6-14-9-10/h1-2,5,10,14,16H,3-4,6-7,9H2
InChIKeyRQITUBCXWLHFBV-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.23
Rot. Bonds5

About 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide

2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide (PubChem CID 106598475) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide
PubChem CID106598475
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C12H16N4O2S/c13-8-11-12(2-1-5-15-11)19(17,18)16-7-4-10-3-6-14-9-10/h1-2,5,10,14,16H,3-4,6-7,9H2
InChIKeyRQITUBCXWLHFBV-UHFFFAOYSA-N
XLogP0.23
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-cyano-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119976906
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119979349
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
8-methyl-N-(2-piperidin-3-ylethyl)quinoline-5-sulfonamide;hydrochloride
CID 119979483
3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
CID 119977178
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
2,3,4-trifluoro-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 129379078
N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride
CID 119977201
2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106545557
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide (CID 106598475) is 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NCCC1CCNC1.
What is the InChIKey of 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide?
The InChIKey is RQITUBCXWLHFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-8-11-12(2-1-5-15-11)19(17,18)16-7-4-10-3-6-14-9-10/h1-2,5,10,14,16H,3-4,6-7,9H2.
What are the key properties of 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide?
2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106598475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).