2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine

C12H23NS — CID 64626744

IUPAC2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(SC2CCCC2)C1
InChIInChI=1S/C12H23NS/c1-9-6-7-11(13)12(8-9)14-10-4-2-3-5-10/h9-12H,2-8,13H2,1H3
InChIKeyBYIKQOAZCCTJNQ-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.18
Rot. Bonds2

About 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine

2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine (PubChem CID 64626744) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine
PubChem CID64626744
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(SC2CCCC2)C1
InChIInChI=1S/C12H23NS/c1-9-6-7-11(13)12(8-9)14-10-4-2-3-5-10/h9-12H,2-8,13H2,1H3
InChIKeyBYIKQOAZCCTJNQ-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine (CID 64626744) is 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine is CC1CCC(N)C(SC2CCCC2)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine?
The InChIKey is BYIKQOAZCCTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9-6-7-11(13)12(8-9)14-10-4-2-3-5-10/h9-12H,2-8,13H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine?
2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64626744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).