N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide

C13H19N3O3S — CID 127245086

IUPACN-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)15-8-6-12-5-3-9-16(12)13(17)11-4-2-7-14-10-11/h2,4,7,10,12,15H,3,5-6,8-9H2,1H3
InChIKeyCCSHAQDOGPQSIT-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.63
Rot. Bonds5

About N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide (PubChem CID 127245086) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
PubChem CID127245086
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)15-8-6-12-5-3-9-16(12)13(17)11-4-2-7-14-10-11/h2,4,7,10,12,15H,3,5-6,8-9H2,1H3
InChIKeyCCSHAQDOGPQSIT-UHFFFAOYSA-N
XLogP0.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
N-[2-[1-(2-pyridin-3-yloxypropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 154739755
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92632029
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 113439400
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
[2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110094495

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide (CID 127245086) is N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCN1C(=O)c1cccnc1.
What is the InChIKey of N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is CCSHAQDOGPQSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)15-8-6-12-5-3-9-16(12)13(17)11-4-2-7-14-10-11/h2,4,7,10,12,15H,3,5-6,8-9H2,1H3.
What are the key properties of N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 127245086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).