4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide

C14H24N4O2S — CID 122560524

IUPAC4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide
SMILESCC(C)C(NS(=O)(=O)N1CCN(C)CC1)c1cccnc1
InChIInChI=1S/C14H24N4O2S/c1-12(2)14(13-5-4-6-15-11-13)16-21(19,20)18-9-7-17(3)8-10-18/h4-6,11-12,14,16H,7-10H2,1-3H3
InChIKeyKLDQGGXPPKVLRW-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.86
Rot. Bonds5

About 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide

4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide (PubChem CID 122560524) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide
PubChem CID122560524
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide
SMILESCC(C)C(NS(=O)(=O)N1CCN(C)CC1)c1cccnc1
InChIInChI=1S/C14H24N4O2S/c1-12(2)14(13-5-4-6-15-11-13)16-21(19,20)18-9-7-17(3)8-10-18/h4-6,11-12,14,16H,7-10H2,1-3H3
InChIKeyKLDQGGXPPKVLRW-UHFFFAOYSA-N
XLogP0.86
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-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

Anabasine
CID 205586
(+-)-Anabasine
CID 2181
(-)-Anatabine
CID 11388
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474
3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
(S)-nicotinium(1+)
CID 6919000
1-Methyl-2-(3-pyridyl)piperidine
CID 29758
(R)-(+)-Anatabine
CID 12306779
3-((2S)-1-Methyl-2-piperidinyl)pyridine
CID 927709
2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
1-(1-Phenyl-2-(pyridin-4-yl)ethyl)piperazine
CID 44414874

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide (CID 122560524) is 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide is CC(C)C(NS(=O)(=O)N1CCN(C)CC1)c1cccnc1.
What is the InChIKey of 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide?
The InChIKey is KLDQGGXPPKVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12(2)14(13-5-4-6-15-11-13)16-21(19,20)18-9-7-17(3)8-10-18/h4-6,11-12,14,16H,7-10H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide?
4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 122560524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).