N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide

C13H20N4O3S — CID 62145648

IUPACN-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC2CCCNC2=O)cn1
InChIInChI=1S/C13H20N4O3S/c1-2-7-14-12-6-5-10(9-16-12)21(19,20)17-11-4-3-8-15-13(11)18/h5-6,9,11,17H,2-4,7-8H2,1H3,(H,14,16)(H,15,18)
InChIKeyXWLGGCMAOLKXHR-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.46
Rot. Bonds6

About N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide

N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62145648) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62145648
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC2CCCNC2=O)cn1
InChIInChI=1S/C13H20N4O3S/c1-2-7-14-12-6-5-10(9-16-12)21(19,20)17-11-4-3-8-15-13(11)18/h5-6,9,11,17H,2-4,7-8H2,1H3,(H,14,16)(H,15,18)
InChIKeyXWLGGCMAOLKXHR-UHFFFAOYSA-N
XLogP0.46
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide 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-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 62146358
N-(2-methylcyclohexyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62144356
N-(2-methylcyclopropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 55071630
N-(2,3-dimethylcyclopentyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64923262
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 80720276
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 62092881
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide (CID 62145648) is N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NC2CCCNC2=O)cn1.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is XWLGGCMAOLKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-7-14-12-6-5-10(9-16-12)21(19,20)17-11-4-3-8-15-13(11)18/h5-6,9,11,17H,2-4,7-8H2,1H3,(H,14,16)(H,15,18).
What are the key properties of N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide?
N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62145648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).