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

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]morpholine-4-sulfonamide
CID 94177903
N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide
CID 125443435
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
CID 82891931
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
(1R)-N-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 144904680
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide
CID 125440079
4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30328363

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).