5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine

C14H21NS — CID 79863610

IUPAC5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(SCc2ccccc2)C1N
InChIInChI=1S/C14H21NS/c1-14(2)9-8-12(13(14)15)16-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3
InChIKeyFHYIUUXRMXXTOT-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.44
Rot. Bonds3

About 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine

5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79863610) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79863610
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(SCc2ccccc2)C1N
InChIInChI=1S/C14H21NS/c1-14(2)9-8-12(13(14)15)16-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3
InChIKeyFHYIUUXRMXXTOT-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine (CID 79863610) is 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine is CC1(C)CCC(SCc2ccccc2)C1N.
What is the InChIKey of 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is FHYIUUXRMXXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-14(2)9-8-12(13(14)15)16-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3.
What are the key properties of 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine?
5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79863610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).