N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

C13H17N3O3S — CID 146210341

IUPACN-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C13H17N3O3S/c1-2-20(18,19)15-9-11-6-8-16(10-11)13(17)12-5-3-4-7-14-12/h2-5,7,11,15H,1,6,8-10H2
InChIKeyPYORPVQFNQTZHF-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.61
Rot. Bonds5

About N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146210341) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146210341
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C13H17N3O3S/c1-2-20(18,19)15-9-11-6-8-16(10-11)13(17)12-5-3-4-7-14-12/h2-5,7,11,15H,1,6,8-10H2
InChIKeyPYORPVQFNQTZHF-UHFFFAOYSA-N
XLogP0.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide 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-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211363
N-[[(3S)-1-(2,6-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211405
N-[[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210339
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
N-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210419
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
N-[[(3S)-1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210524
N-[[(3S)-1-(3,5-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211417
N-[[1-[4-(dimethylamino)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211753
N-[[1-(3,4-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210390
N-[[(3S)-1-[4-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210694

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146210341) is N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is PYORPVQFNQTZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-20(18,19)15-9-11-6-8-16(10-11)13(17)12-5-3-4-7-14-12/h2-5,7,11,15H,1,6,8-10H2.
What are the key properties of N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146210341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).