2-benzylsulfanyl-N-ethylcyclohexan-1-amine

C15H23NS — CID 64621977

IUPAC2-benzylsulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1SCc1ccccc1
InChIInChI=1S/C15H23NS/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3
InChIKeyRAFVHELSGRWXKT-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.84
Rot. Bonds5

About 2-benzylsulfanyl-N-ethylcyclohexan-1-amine

2-benzylsulfanyl-N-ethylcyclohexan-1-amine (PubChem CID 64621977) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-N-ethylcyclohexan-1-amine
PubChem CID64621977
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-benzylsulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1SCc1ccccc1
InChIInChI=1S/C15H23NS/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3
InChIKeyRAFVHELSGRWXKT-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-benzylsulfanyl-N-ethylcyclohexan-1-amine (CID 64621977) is 2-benzylsulfanyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-benzylsulfanyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-benzylsulfanyl-N-ethylcyclohexan-1-amine is CCNC1CCCCC1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-ethylcyclohexan-1-amine?
The InChIKey is RAFVHELSGRWXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3.
What are the key properties of 2-benzylsulfanyl-N-ethylcyclohexan-1-amine?
2-benzylsulfanyl-N-ethylcyclohexan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64621977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).