3-cyclohexyl-1-ethylsulfanylpropan-1-amine

C11H23NS — CID 57217227

IUPAC3-cyclohexyl-1-ethylsulfanylpropan-1-amine
SMILESCCSC(N)CCC1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3
InChIKeyHJQCGAVJKAZJSQ-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.38
Rot. Bonds5

About 3-cyclohexyl-1-ethylsulfanylpropan-1-amine

3-cyclohexyl-1-ethylsulfanylpropan-1-amine (PubChem CID 57217227) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-ethylsulfanylpropan-1-amine
PubChem CID57217227
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-cyclohexyl-1-ethylsulfanylpropan-1-amine
SMILESCCSC(N)CCC1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3
InChIKeyHJQCGAVJKAZJSQ-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-1-ethylsulfanylpropan-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethylsulfanylpropan-1-amine?
The IUPAC name of 3-cyclohexyl-1-ethylsulfanylpropan-1-amine (CID 57217227) is 3-cyclohexyl-1-ethylsulfanylpropan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-ethylsulfanylpropan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-ethylsulfanylpropan-1-amine is CCSC(N)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-ethylsulfanylpropan-1-amine?
The InChIKey is HJQCGAVJKAZJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-cyclohexyl-1-ethylsulfanylpropan-1-amine?
3-cyclohexyl-1-ethylsulfanylpropan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethylsulfanylpropan-1-amine is sourced from PubChem (CID 57217227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).