1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride

C13H20ClNS — CID 45264136

IUPAC1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCSc1cccc(C2(N)CCCCC2)c1.Cl
InChIInChI=1S/C13H19NS.ClH/c1-15-12-7-5-6-11(10-12)13(14)8-3-2-4-9-13;/h5-7,10H,2-4,8-9,14H2,1H3;1H
InChIKeyRAWJPZFZMWMWNQ-UHFFFAOYSA-N
MW257.83 g/mol
LogP3.95
Rot. Bonds2

About 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride

1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 45264136) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
PubChem CID45264136
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCSc1cccc(C2(N)CCCCC2)c1.Cl
InChIInChI=1S/C13H19NS.ClH/c1-15-12-7-5-6-11(10-12)13(14)8-3-2-4-9-13;/h5-7,10H,2-4,8-9,14H2,1H3;1H
InChIKeyRAWJPZFZMWMWNQ-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

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Related Compounds

1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
CID 14762893
1-[2-(Methylsulfanyl)phenyl]cyclohexan-1-amine
CID 44282269
1-(2-Methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
CID 45259842
1-[3-(Methylthio)phenyl]cyclohexylamine
CID 44282357
2-[3-(Methylsulfanyl)phenyl]propan-2-amine
CID 15754149
1-(3-(Methylsulfanyl)phenyl)methanamine
CID 26722446
2-(3-Methanesulfonylphenyl)propan-2-amine
CID 69120764
2-[2-(Methylsulfanyl)phenyl]propan-2-amine
CID 82026912
1-[4-(Methylsulfanyl)phenyl]cyclohexan-1-amine
CID 44282257
1-(4-Methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
CID 45264201
1-(3-(Methylsulfanyl)phenyl)ethan-1-amine hydrochloride
CID 155822089
2-(3-(Methylsulfanyl)phenyl)ethan-1-amine hydrochloride
CID 155943836

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride (CID 45264136) is 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride is CSc1cccc(C2(N)CCCCC2)c1.Cl.
What is the InChIKey of 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is RAWJPZFZMWMWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS.ClH/c1-15-12-7-5-6-11(10-12)13(14)8-3-2-4-9-13;/h5-7,10H,2-4,8-9,14H2,1H3;1H.
What are the key properties of 1-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride?
1-(3-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-(3-methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45264136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).