N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide

C12H19N3O2S — CID 107423270

IUPACN-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCC1(NS(=O)(=O)CCc2ccccn2)CCNC1
InChIInChI=1S/C12H19N3O2S/c1-12(6-8-13-10-12)15-18(16,17)9-5-11-4-2-3-7-14-11/h2-4,7,13,15H,5-6,8-10H2,1H3
InChIKeyJLSQFDSVPSOZSN-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.30
Rot. Bonds5

About N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide

N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 107423270) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide
PubChem CID107423270
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCC1(NS(=O)(=O)CCc2ccccn2)CCNC1
InChIInChI=1S/C12H19N3O2S/c1-12(6-8-13-10-12)15-18(16,17)9-5-11-4-2-3-7-14-11/h2-4,7,13,15H,5-6,8-10H2,1H3
InChIKeyJLSQFDSVPSOZSN-UHFFFAOYSA-N
XLogP0.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 61123473
2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid
CID 64672949
N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide
CID 61123182
N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
CID 107425698
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 106979600
1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 81483874
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide (CID 107423270) is N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide is CC1(NS(=O)(=O)CCc2ccccn2)CCNC1.
What is the InChIKey of N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is JLSQFDSVPSOZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(6-8-13-10-12)15-18(16,17)9-5-11-4-2-3-7-14-11/h2-4,7,13,15H,5-6,8-10H2,1H3.
What are the key properties of N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide?
N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpyrrolidin-3-yl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 107423270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).