(1-cyclohexylsulfanylcyclopentyl)methanamine

C12H23NS — CID 65139467

IUPAC(1-cyclohexylsulfanylcyclopentyl)methanamine
SMILESNCC1(SC2CCCCC2)CCCC1
InChIInChI=1S/C12H23NS/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h11H,1-10,13H2
InChIKeyFQLPQPBOFKKODP-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.32
Rot. Bonds3

About (1-cyclohexylsulfanylcyclopentyl)methanamine

(1-cyclohexylsulfanylcyclopentyl)methanamine (PubChem CID 65139467) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (1-cyclohexylsulfanylcyclopentyl)methanamine.

Molecular Properties

Compound Name(1-cyclohexylsulfanylcyclopentyl)methanamine
PubChem CID65139467
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(1-cyclohexylsulfanylcyclopentyl)methanamine
SMILESNCC1(SC2CCCCC2)CCCC1
InChIInChI=1S/C12H23NS/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h11H,1-10,13H2
InChIKeyFQLPQPBOFKKODP-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylsulfanylcyclopentyl)methanamine?
The IUPAC name of (1-cyclohexylsulfanylcyclopentyl)methanamine (CID 65139467) is (1-cyclohexylsulfanylcyclopentyl)methanamine.
What is the SMILES notation for (1-cyclohexylsulfanylcyclopentyl)methanamine?
The canonical SMILES for (1-cyclohexylsulfanylcyclopentyl)methanamine is NCC1(SC2CCCCC2)CCCC1.
What is the InChIKey of (1-cyclohexylsulfanylcyclopentyl)methanamine?
The InChIKey is FQLPQPBOFKKODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h11H,1-10,13H2.
What are the key properties of (1-cyclohexylsulfanylcyclopentyl)methanamine?
(1-cyclohexylsulfanylcyclopentyl)methanamine has a molecular weight of 213.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylsulfanylcyclopentyl)methanamine is sourced from PubChem (CID 65139467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).