1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide

C13H26N2OS — CID 115739018

IUPAC1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
SMILESCSC(C)CCNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C13H26N2OS/c1-10-5-4-7-13(14,9-10)12(16)15-8-6-11(2)17-3/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyYMDYNFVRNGNVHP-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.15
Rot. Bonds5

About 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide

1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide (PubChem CID 115739018) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
PubChem CID115739018
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
SMILESCSC(C)CCNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C13H26N2OS/c1-10-5-4-7-13(14,9-10)12(16)15-8-6-11(2)17-3/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyYMDYNFVRNGNVHP-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-methyl-N-(3-methylsulfanylbutyl)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

Related Compounds

5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
1-amino-3-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 115740076
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
CID 64550257
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 65035910
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-[3-(diethylamino)-3-oxopropyl]-3-methylcyclohexane-1-carboxamide
CID 64549217
1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide (CID 115739018) is 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide is CSC(C)CCNC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide?
The InChIKey is YMDYNFVRNGNVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10-5-4-7-13(14,9-10)12(16)15-8-6-11(2)17-3/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115739018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).