N-(2-ethylcyclohexyl)thian-4-amine

C13H25NS — CID 43434146

IUPACN-(2-ethylcyclohexyl)thian-4-amine
SMILESCCC1CCCCC1NC1CCSCC1
InChIInChI=1S/C13H25NS/c1-2-11-5-3-4-6-13(11)14-12-7-9-15-10-8-12/h11-14H,2-10H2,1H3
InChIKeyYXXZTVKZPFYCMB-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds3

About N-(2-ethylcyclohexyl)thian-4-amine

N-(2-ethylcyclohexyl)thian-4-amine (PubChem CID 43434146) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)thian-4-amine
PubChem CID43434146
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-(2-ethylcyclohexyl)thian-4-amine
SMILESCCC1CCCCC1NC1CCSCC1
InChIInChI=1S/C13H25NS/c1-2-11-5-3-4-6-13(11)14-12-7-9-15-10-8-12/h11-14H,2-10H2,1H3
InChIKeyYXXZTVKZPFYCMB-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)thian-4-amine?
The IUPAC name of N-(2-ethylcyclohexyl)thian-4-amine (CID 43434146) is N-(2-ethylcyclohexyl)thian-4-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)thian-4-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)thian-4-amine is CCC1CCCCC1NC1CCSCC1.
What is the InChIKey of N-(2-ethylcyclohexyl)thian-4-amine?
The InChIKey is YXXZTVKZPFYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-2-11-5-3-4-6-13(11)14-12-7-9-15-10-8-12/h11-14H,2-10H2,1H3.
What are the key properties of N-(2-ethylcyclohexyl)thian-4-amine?
N-(2-ethylcyclohexyl)thian-4-amine has a molecular weight of 227.42 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 N-(2-ethylcyclohexyl)thian-4-amine is sourced from PubChem (CID 43434146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).