3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine

C14H21NS — CID 64722212

IUPAC3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
SMILESCc1ccccc1CSC1CCCC(N)C1
InChIInChI=1S/C14H21NS/c1-11-5-2-3-6-12(11)10-16-14-8-4-7-13(15)9-14/h2-3,5-6,13-14H,4,7-10,15H2,1H3
InChIKeyNPFYYWYGYNSURC-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.50
Rot. Bonds3

About 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine

3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine (PubChem CID 64722212) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
PubChem CID64722212
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
SMILESCc1ccccc1CSC1CCCC(N)C1
InChIInChI=1S/C14H21NS/c1-11-5-2-3-6-12(11)10-16-14-8-4-7-13(15)9-14/h2-3,5-6,13-14H,4,7-10,15H2,1H3
InChIKeyNPFYYWYGYNSURC-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The IUPAC name of 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine (CID 64722212) is 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine is Cc1ccccc1CSC1CCCC(N)C1.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The InChIKey is NPFYYWYGYNSURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11-5-2-3-6-12(11)10-16-14-8-4-7-13(15)9-14/h2-3,5-6,13-14H,4,7-10,15H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 64722212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).