N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide

C14H23N3O2S — CID 63999604

IUPACN-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NC2CCC(C)CC2C)cn1
InChIInChI=1S/C14H23N3O2S/c1-10-4-6-13(11(2)8-10)17-20(18,19)12-5-7-14(15-3)16-9-12/h5,7,9-11,13,17H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyYVVCPYNILFIMHY-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.23
Rot. Bonds4

About N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide

N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 63999604) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID63999604
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NC2CCC(C)CC2C)cn1
InChIInChI=1S/C14H23N3O2S/c1-10-4-6-13(11(2)8-10)17-20(18,19)12-5-7-14(15-3)16-9-12/h5,7,9-11,13,17H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyYVVCPYNILFIMHY-UHFFFAOYSA-N
XLogP2.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide (CID 63999604) is N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NC2CCC(C)CC2C)cn1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is YVVCPYNILFIMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-4-6-13(11(2)8-10)17-20(18,19)12-5-7-14(15-3)16-9-12/h5,7,9-11,13,17H,4,6,8H2,1-3H3,(H,15,16).
What are the key properties of N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63999604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).