4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide

C11H22N2OS — CID 79527428

IUPAC4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
SMILESCSCCNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C11H22N2OS/c1-15-7-6-13-11(14)10-4-2-9(8-12)3-5-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyQJQICDAXLJQPHL-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.23
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide (PubChem CID 79527428) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
PubChem CID79527428
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
SMILESCSCCNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C11H22N2OS/c1-15-7-6-13-11(14)10-4-2-9(8-12)3-5-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyQJQICDAXLJQPHL-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide 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 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide (CID 79527428) is 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide is CSCCNC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The InChIKey is QJQICDAXLJQPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-15-7-6-13-11(14)10-4-2-9(8-12)3-5-10/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79527428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).