3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine

C17H27NOS — CID 103787286

IUPAC3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCCSC1CCC(NC(C)c2ccc(C)cc2OC)C1
InChIInChI=1S/C17H27NOS/c1-5-20-15-8-7-14(11-15)18-13(3)16-9-6-12(2)10-17(16)19-4/h6,9-10,13-15,18H,5,7-8,11H2,1-4H3
InChIKeyPBTSAMBTFZBCLM-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.33
Rot. Bonds6

About 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine

3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine (PubChem CID 103787286) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine
PubChem CID103787286
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCCSC1CCC(NC(C)c2ccc(C)cc2OC)C1
InChIInChI=1S/C17H27NOS/c1-5-20-15-8-7-14(11-15)18-13(3)16-9-6-12(2)10-17(16)19-4/h6,9-10,13-15,18H,5,7-8,11H2,1-4H3
InChIKeyPBTSAMBTFZBCLM-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine (CID 103787286) is 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine is CCSC1CCC(NC(C)c2ccc(C)cc2OC)C1.
What is the InChIKey of 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is PBTSAMBTFZBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-20-15-8-7-14(11-15)18-13(3)16-9-6-12(2)10-17(16)19-4/h6,9-10,13-15,18H,5,7-8,11H2,1-4H3.
What are the key properties of 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine?
3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103787286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).