1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride

C13H20ClNS — CID 45264201

IUPAC1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCSc1ccc(C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C13H19NS.ClH/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13;/h5-8H,2-4,9-10,14H2,1H3;1H
InChIKeyMXOGNHQMGRPVSM-UHFFFAOYSA-N
MW257.83 g/mol
LogP3.95
Rot. Bonds2

About 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride

1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 45264201) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
PubChem CID45264201
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCSc1ccc(C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C13H19NS.ClH/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13;/h5-8H,2-4,9-10,14H2,1H3;1H
InChIKeyMXOGNHQMGRPVSM-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride 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

1-(4-Methylsulfanylphenyl)butan-2-amine
CID 43565977
4-(Methylthio)benzylamine
CID 2760080
1-[2-(Methylsulfanyl)phenyl]cyclohexan-1-amine
CID 44282269
1-(2-Methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
CID 45259842
US10285989, Example 17
CID 118201808
[4-(Methylsulfanyl)phenyl]methanamine hydrochloride
CID 19734486
1-[3-(Methylthio)phenyl]cyclohexylamine
CID 44282357
1-(4-Methylsulfanylphenyl)propylamine
CID 44613813
1-(3-Methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
CID 45264136
2-Amino-1,3-di(4-methylthiophenyl)propane
CID 46907064
4-(Methylthio)thiobenzamide
CID 3003314
(4'-(Methylthio)-[1,1'-biphenyl]-3-yl)methanamine
CID 1392849

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride (CID 45264201) is 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride is CSc1ccc(C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is MXOGNHQMGRPVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS.ClH/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13;/h5-8H,2-4,9-10,14H2,1H3;1H.
What are the key properties of 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride?
1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 257.83 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45264201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).