N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

C13H29N3O2S — CID 63888346

IUPACN-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C13H29N3O2S/c1-10(2)5-13(7-14)15-19(17,18)16-8-11(3)6-12(4)9-16/h10-13,15H,5-9,14H2,1-4H3
InChIKeyJVQMXAPTBAMION-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.17
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 63888346) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID63888346
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C13H29N3O2S/c1-10(2)5-13(7-14)15-19(17,18)16-8-11(3)6-12(4)9-16/h10-13,15H,5-9,14H2,1-4H3
InChIKeyJVQMXAPTBAMION-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (CID 63888346) is N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is CC(C)CC(CN)NS(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is JVQMXAPTBAMION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-10(2)5-13(7-14)15-19(17,18)16-8-11(3)6-12(4)9-16/h10-13,15H,5-9,14H2,1-4H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 63888346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).