(2-cyclohexylsulfanylcyclopentyl)methanamine

C12H23NS — CID 60884741

IUPAC(2-cyclohexylsulfanylcyclopentyl)methanamine
SMILESNCC1CCCC1SC1CCCCC1
InChIInChI=1S/C12H23NS/c13-9-10-5-4-8-12(10)14-11-6-2-1-3-7-11/h10-12H,1-9,13H2
InChIKeyPTYCKWDHYKUBTF-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.18
Rot. Bonds3

About (2-cyclohexylsulfanylcyclopentyl)methanamine

(2-cyclohexylsulfanylcyclopentyl)methanamine (PubChem CID 60884741) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (2-cyclohexylsulfanylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2-cyclohexylsulfanylcyclopentyl)methanamine
PubChem CID60884741
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(2-cyclohexylsulfanylcyclopentyl)methanamine
SMILESNCC1CCCC1SC1CCCCC1
InChIInChI=1S/C12H23NS/c13-9-10-5-4-8-12(10)14-11-6-2-1-3-7-11/h10-12H,1-9,13H2
InChIKeyPTYCKWDHYKUBTF-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylsulfanylcyclopentyl)methanamine?
The IUPAC name of (2-cyclohexylsulfanylcyclopentyl)methanamine (CID 60884741) is (2-cyclohexylsulfanylcyclopentyl)methanamine.
What is the SMILES notation for (2-cyclohexylsulfanylcyclopentyl)methanamine?
The canonical SMILES for (2-cyclohexylsulfanylcyclopentyl)methanamine is NCC1CCCC1SC1CCCCC1.
What is the InChIKey of (2-cyclohexylsulfanylcyclopentyl)methanamine?
The InChIKey is PTYCKWDHYKUBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c13-9-10-5-4-8-12(10)14-11-6-2-1-3-7-11/h10-12H,1-9,13H2.
What are the key properties of (2-cyclohexylsulfanylcyclopentyl)methanamine?
(2-cyclohexylsulfanylcyclopentyl)methanamine has a molecular weight of 213.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylsulfanylcyclopentyl)methanamine is sourced from PubChem (CID 60884741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).