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

C14H23N3O2S — CID 79873051

IUPACN-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cn1
InChIInChI=1S/C14H23N3O2S/c1-14(2)9-5-4-6-12(14)17-20(18,19)11-7-8-13(15-3)16-10-11/h7-8,10,12,17H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyMFUZAQHDEGCAQG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.37
Rot. Bonds4

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

N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 79873051) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID79873051
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cn1
InChIInChI=1S/C14H23N3O2S/c1-14(2)9-5-4-6-12(14)17-20(18,19)11-7-8-13(15-3)16-10-11/h7-8,10,12,17H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyMFUZAQHDEGCAQG-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide (CID 79873051) is N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NC2CCCCC2(C)C)cn1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is MFUZAQHDEGCAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2)9-5-4-6-12(14)17-20(18,19)11-7-8-13(15-3)16-10-11/h7-8,10,12,17H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 79873051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).