2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide

C14H28N2OS — CID 14208589

IUPAC2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)NCCCC1CCCCC1
InChIInChI=1S/C14H28N2OS/c1-18-11-9-13(15)14(17)16-10-5-8-12-6-3-2-4-7-12/h12-13H,2-11,15H2,1H3,(H,16,17)
InChIKeyLYJHEGGWTRCUQB-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.54
Rot. Bonds8

About 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide

2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide (PubChem CID 14208589) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide
PubChem CID14208589
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)NCCCC1CCCCC1
InChIInChI=1S/C14H28N2OS/c1-18-11-9-13(15)14(17)16-10-5-8-12-6-3-2-4-7-12/h12-13H,2-11,15H2,1H3,(H,16,17)
InChIKeyLYJHEGGWTRCUQB-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide 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 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide (CID 14208589) is 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide is CSCCC(N)C(=O)NCCCC1CCCCC1.
What is the InChIKey of 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide?
The InChIKey is LYJHEGGWTRCUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-18-11-9-13(15)14(17)16-10-5-8-12-6-3-2-4-7-12/h12-13H,2-11,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide?
2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide has a molecular weight of 272.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 14208589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).