2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide

C12H14N4O3S — CID 106545352

IUPAC2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H14N4O3S/c13-8-10-11(4-3-5-14-10)20(18,19)15-9-12(17)16-6-1-2-7-16/h3-5,15H,1-2,6-7,9H2
InChIKeyXHGJFGTYTPFTDQ-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.15
Rot. Bonds4

About 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide

2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (PubChem CID 106545352) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
PubChem CID106545352
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H14N4O3S/c13-8-10-11(4-3-5-14-10)20(18,19)15-9-12(17)16-6-1-2-7-16/h3-5,15H,1-2,6-7,9H2
InChIKeyXHGJFGTYTPFTDQ-UHFFFAOYSA-N
XLogP-0.15
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597777
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
CID 107270957
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
CID 106546169
2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
CID 106596107

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (CID 106545352) is 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The InChIKey is XHGJFGTYTPFTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-8-10-11(4-3-5-14-10)20(18,19)15-9-12(17)16-6-1-2-7-16/h3-5,15H,1-2,6-7,9H2.
What are the key properties of 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide has a molecular weight of 294.34 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106545352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).