1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine

C14H19F2NOS — CID 104754679

IUPAC1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
SMILESNC(CS(=O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H19F2NOS/c15-11-6-7-12(16)14(8-11)19(18)9-13(17)10-4-2-1-3-5-10/h6-8,10,13H,1-5,9,17H2
InChIKeySHOFXCFAGBKKHQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.98
Rot. Bonds4

About 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine

1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine (PubChem CID 104754679) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
PubChem CID104754679
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
SMILESNC(CS(=O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H19F2NOS/c15-11-6-7-12(16)14(8-11)19(18)9-13(17)10-4-2-1-3-5-10/h6-8,10,13H,1-5,9,17H2
InChIKeySHOFXCFAGBKKHQ-UHFFFAOYSA-N
XLogP2.98
TPSA43.09 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanamine
CID 64657955
2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449406
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine
CID 104755477
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
2-(2,5-difluorophenyl)sulfinylacetaldehyde
CID 66223483
1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
CID 104754397
1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 104753985
2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine
CID 104754574
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64652274

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine?
The IUPAC name of 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine (CID 104754679) is 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine is NC(CS(=O)c1cc(F)ccc1F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine?
The InChIKey is SHOFXCFAGBKKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c15-11-6-7-12(16)14(8-11)19(18)9-13(17)10-4-2-1-3-5-10/h6-8,10,13H,1-5,9,17H2.
What are the key properties of 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine?
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine has a molecular weight of 287.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine is sourced from PubChem (CID 104754679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).