3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine

C14H19F2NOS — CID 64717560

IUPAC3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-7-6-10(15)8-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3
InChIKeyRAAQHVXJTKNODU-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.99
Rot. Bonds4

About 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine

3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine (PubChem CID 64717560) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
PubChem CID64717560
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-7-6-10(15)8-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3
InChIKeyRAAQHVXJTKNODU-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine (CID 64717560) is 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine is CCNC1CCCC(S(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The InChIKey is RAAQHVXJTKNODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-7-6-10(15)8-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64717560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).