4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide

C13H22N4O2S — CID 125440079

IUPAC4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide
SMILESCc1cccc([C@@H](C)NS(=O)(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C13H22N4O2S/c1-11-5-4-6-13(14-11)12(2)15-20(18,19)17-9-7-16(3)8-10-17/h4-6,12,15H,7-10H2,1-3H3/t12-/m1/s1
InChIKeyWGBKOCXHYMKUDA-GFCCVEGCSA-N
MW298.41 g/mol
LogP0.53
Rot. Bonds4

About 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide

4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide (PubChem CID 125440079) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide
PubChem CID125440079
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide
SMILESCc1cccc([C@@H](C)NS(=O)(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C13H22N4O2S/c1-11-5-4-6-13(14-11)12(2)15-20(18,19)17-9-7-16(3)8-10-17/h4-6,12,15H,7-10H2,1-3H3/t12-/m1/s1
InChIKeyWGBKOCXHYMKUDA-GFCCVEGCSA-N
XLogP0.53
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide (CID 125440079) is 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide is Cc1cccc([C@@H](C)NS(=O)(=O)N2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide?
The InChIKey is WGBKOCXHYMKUDA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-11-5-4-6-13(14-11)12(2)15-20(18,19)17-9-7-16(3)8-10-17/h4-6,12,15H,7-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide?
4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 125440079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).