4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine

C11H22FNO2S — CID 112562459

IUPAC4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(F)CCC(N)CC1
InChIInChI=1S/C11H22FNO2S/c1-2-16(14,15)9-3-6-11(12)7-4-10(13)5-8-11/h10H,2-9,13H2,1H3
InChIKeyZWUNQPMIAOCTNW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.81
Rot. Bonds5

About 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine

4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine (PubChem CID 112562459) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine
PubChem CID112562459
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(F)CCC(N)CC1
InChIInChI=1S/C11H22FNO2S/c1-2-16(14,15)9-3-6-11(12)7-4-10(13)5-8-11/h10H,2-9,13H2,1H3
InChIKeyZWUNQPMIAOCTNW-UHFFFAOYSA-N
XLogP1.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-N-(4-propylcyclohexyl)thiane-4-sulfonamide
CID 53619660
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine (CID 112562459) is 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine is CCS(=O)(=O)CCCC1(F)CCC(N)CC1.
What is the InChIKey of 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine?
The InChIKey is ZWUNQPMIAOCTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-2-16(14,15)9-3-6-11(12)7-4-10(13)5-8-11/h10H,2-9,13H2,1H3.
What are the key properties of 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine?
4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylpropyl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).