2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide

C12H16N4O2S — CID 106595671

IUPAC2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cccnc2C#N)C1
InChIInChI=1S/C12H16N4O2S/c1-16-6-4-10(9-16)8-15-19(17,18)12-3-2-5-14-11(12)7-13/h2-3,5,10,15H,4,6,8-9H2,1H3
InChIKeyYHFKLXDJBMDLHT-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.18
Rot. Bonds4

About 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide

2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 106595671) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID106595671
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cccnc2C#N)C1
InChIInChI=1S/C12H16N4O2S/c1-16-6-4-10(9-16)8-15-19(17,18)12-3-2-5-14-11(12)7-13/h2-3,5,10,15H,4,6,8-9H2,1H3
InChIKeyYHFKLXDJBMDLHT-UHFFFAOYSA-N
XLogP0.18
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62145977
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103299286
2-cyano-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
CID 106596107
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
CID 106546424
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide
CID 106595449
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide
CID 106598475
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121110017
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 72716897
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (CID 106595671) is 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is CN1CCC(CNS(=O)(=O)c2cccnc2C#N)C1.
What is the InChIKey of 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is YHFKLXDJBMDLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-6-4-10(9-16)8-15-19(17,18)12-3-2-5-14-11(12)7-13/h2-3,5,10,15H,4,6,8-9H2,1H3.
What are the key properties of 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106595671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).