3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine

C10H20FNO2S — CID 106735958

IUPAC3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine
SMILESCCS(=O)(=O)CCC1(F)CCCC(N)C1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)7-6-10(11)5-3-4-9(12)8-10/h9H,2-8,12H2,1H3
InChIKeyHZGPLQZPKZTYFY-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.42
Rot. Bonds4

About 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine

3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine (PubChem CID 106735958) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine
PubChem CID106735958
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine
SMILESCCS(=O)(=O)CCC1(F)CCCC(N)C1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)7-6-10(11)5-3-4-9(12)8-10/h9H,2-8,12H2,1H3
InChIKeyHZGPLQZPKZTYFY-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-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

Related Compounds

3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061841
4,4,4-Trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80071820
[3-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722921
[4-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722922
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
CID 103312161
2,2-Difluoro-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 103516905
3-Fluoro-3-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 104277205
2,2,2-Trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 105014137
4-Methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113301
1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutan-1-amine
CID 105113392
4-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113393
4-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113525

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine (CID 106735958) is 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine is CCS(=O)(=O)CCC1(F)CCCC(N)C1.
What is the InChIKey of 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine?
The InChIKey is HZGPLQZPKZTYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-2-15(13,14)7-6-10(11)5-3-4-9(12)8-10/h9H,2-8,12H2,1H3.
What are the key properties of 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine?
3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethyl)-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 106735958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).