1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine

C16H23NS — CID 82485352

IUPAC1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(SC3CCCC3)cc2)CCCC1
InChIInChI=1S/C16H23NS/c17-16(11-3-4-12-16)13-7-9-15(10-8-13)18-14-5-1-2-6-14/h7-10,14H,1-6,11-12,17H2
InChIKeyPISAMHCUWYTFOK-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.45
Rot. Bonds3

About 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine

1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine (PubChem CID 82485352) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine
PubChem CID82485352
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(SC3CCCC3)cc2)CCCC1
InChIInChI=1S/C16H23NS/c17-16(11-3-4-12-16)13-7-9-15(10-8-13)18-14-5-1-2-6-14/h7-10,14H,1-6,11-12,17H2
InChIKeyPISAMHCUWYTFOK-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine (CID 82485352) is 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine is NC1(c2ccc(SC3CCCC3)cc2)CCCC1.
What is the InChIKey of 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine?
The InChIKey is PISAMHCUWYTFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c17-16(11-3-4-12-16)13-7-9-15(10-8-13)18-14-5-1-2-6-14/h7-10,14H,1-6,11-12,17H2.
What are the key properties of 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine?
1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylsulfanylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 82485352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).