3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine

C11H23NS — CID 138690123

IUPAC3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCSCC1CCCC(NC(C)C)C1
InChIInChI=1S/C11H23NS/c1-9(2)12-11-6-4-5-10(7-11)8-13-3/h9-12H,4-8H2,1-3H3
InChIKeyCMUFFKFLIAHTRO-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds4

About 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine

3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 138690123) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID138690123
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCSCC1CCCC(NC(C)C)C1
InChIInChI=1S/C11H23NS/c1-9(2)12-11-6-4-5-10(7-11)8-13-3/h9-12H,4-8H2,1-3H3
InChIKeyCMUFFKFLIAHTRO-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine 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-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
CID 100920931
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434425
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43747397
N-[3-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 62871811
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755686
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758290
N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758494

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine (CID 138690123) is 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine is CSCC1CCCC(NC(C)C)C1.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is CMUFFKFLIAHTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)12-11-6-4-5-10(7-11)8-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine?
3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 138690123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).