N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine

C14H19NS — CID 115728537

IUPACN-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine
SMILESCSCC(NC1CC=CC1)c1ccccc1
InChIInChI=1S/C14H19NS/c1-16-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-13/h2-8,13-15H,9-11H2,1H3
InChIKeyHJAGPFQNXRBQSE-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.40
Rot. Bonds5

About N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine

N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine (PubChem CID 115728537) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine
PubChem CID115728537
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine
SMILESCSCC(NC1CC=CC1)c1ccccc1
InChIInChI=1S/C14H19NS/c1-16-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-13/h2-8,13-15H,9-11H2,1H3
InChIKeyHJAGPFQNXRBQSE-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine?
The IUPAC name of N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine (CID 115728537) is N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine.
What is the SMILES notation for N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine?
The canonical SMILES for N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine is CSCC(NC1CC=CC1)c1ccccc1.
What is the InChIKey of N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine?
The InChIKey is HJAGPFQNXRBQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-16-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-13/h2-8,13-15H,9-11H2,1H3.
What are the key properties of N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine?
N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine is sourced from PubChem (CID 115728537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).