(2-cyclopentylsulfanyl-5-methylphenyl)methanamine

C13H19NS — CID 107931471

IUPAC(2-cyclopentylsulfanyl-5-methylphenyl)methanamine
SMILESCc1ccc(SC2CCCC2)c(CN)c1
InChIInChI=1S/C13H19NS/c1-10-6-7-13(11(8-10)9-14)15-12-4-2-3-5-12/h6-8,12H,2-5,9,14H2,1H3
InChIKeyPWVAQAOBRQPMFN-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.49
Rot. Bonds3

About (2-cyclopentylsulfanyl-5-methylphenyl)methanamine

(2-cyclopentylsulfanyl-5-methylphenyl)methanamine (PubChem CID 107931471) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is (2-cyclopentylsulfanyl-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-cyclopentylsulfanyl-5-methylphenyl)methanamine
PubChem CID107931471
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name(2-cyclopentylsulfanyl-5-methylphenyl)methanamine
SMILESCc1ccc(SC2CCCC2)c(CN)c1
InChIInChI=1S/C13H19NS/c1-10-6-7-13(11(8-10)9-14)15-12-4-2-3-5-12/h6-8,12H,2-5,9,14H2,1H3
InChIKeyPWVAQAOBRQPMFN-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylsulfanyl-5-methylphenyl)methanamine?
The IUPAC name of (2-cyclopentylsulfanyl-5-methylphenyl)methanamine (CID 107931471) is (2-cyclopentylsulfanyl-5-methylphenyl)methanamine.
What is the SMILES notation for (2-cyclopentylsulfanyl-5-methylphenyl)methanamine?
The canonical SMILES for (2-cyclopentylsulfanyl-5-methylphenyl)methanamine is Cc1ccc(SC2CCCC2)c(CN)c1.
What is the InChIKey of (2-cyclopentylsulfanyl-5-methylphenyl)methanamine?
The InChIKey is PWVAQAOBRQPMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-6-7-13(11(8-10)9-14)15-12-4-2-3-5-12/h6-8,12H,2-5,9,14H2,1H3.
What are the key properties of (2-cyclopentylsulfanyl-5-methylphenyl)methanamine?
(2-cyclopentylsulfanyl-5-methylphenyl)methanamine has a molecular weight of 221.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylsulfanyl-5-methylphenyl)methanamine is sourced from PubChem (CID 107931471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).