1-(3-methylsulfanylphenyl)cyclopentan-1-amine

C12H17NS — CID 82611331

IUPAC1-(3-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCSc1cccc(C2(N)CCCC2)c1
InChIInChI=1S/C12H17NS/c1-14-11-6-4-5-10(9-11)12(13)7-2-3-8-12/h4-6,9H,2-3,7-8,13H2,1H3
InChIKeySYHUYTFQBWRTRB-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.14
Rot. Bonds2

About 1-(3-methylsulfanylphenyl)cyclopentan-1-amine

1-(3-methylsulfanylphenyl)cyclopentan-1-amine (PubChem CID 82611331) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)cyclopentan-1-amine
PubChem CID82611331
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-(3-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCSc1cccc(C2(N)CCCC2)c1
InChIInChI=1S/C12H17NS/c1-14-11-6-4-5-10(9-11)12(13)7-2-3-8-12/h4-6,9H,2-3,7-8,13H2,1H3
InChIKeySYHUYTFQBWRTRB-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-methylsulfanylphenyl)cyclopentan-1-amine (CID 82611331) is 1-(3-methylsulfanylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-methylsulfanylphenyl)cyclopentan-1-amine is CSc1cccc(C2(N)CCCC2)c1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)cyclopentan-1-amine?
The InChIKey is SYHUYTFQBWRTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-14-11-6-4-5-10(9-11)12(13)7-2-3-8-12/h4-6,9H,2-3,7-8,13H2,1H3.
What are the key properties of 1-(3-methylsulfanylphenyl)cyclopentan-1-amine?
1-(3-methylsulfanylphenyl)cyclopentan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 82611331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).