3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine

C12H24FNO2S — CID 106735957

IUPAC3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC1(F)CCCC(N)C1
InChIInChI=1S/C12H24FNO2S/c1-11(2,3)17(15,16)8-7-12(13)6-4-5-10(14)9-12/h10H,4-9,14H2,1-3H3
InChIKeyZJXVXHJRALJLTL-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.20
Rot. Bonds3

About 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine

3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine (PubChem CID 106735957) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine
PubChem CID106735957
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCC1(F)CCCC(N)C1
InChIInChI=1S/C12H24FNO2S/c1-11(2,3)17(15,16)8-7-12(13)6-4-5-10(14)9-12/h10H,4-9,14H2,1-3H3
InChIKeyZJXVXHJRALJLTL-UHFFFAOYSA-N
XLogP2.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine (CID 106735957) is 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine is CC(C)(C)S(=O)(=O)CCC1(F)CCCC(N)C1.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine?
The InChIKey is ZJXVXHJRALJLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-11(2,3)17(15,16)8-7-12(13)6-4-5-10(14)9-12/h10H,4-9,14H2,1-3H3.
What are the key properties of 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine?
3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine has a molecular weight of 265.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 106735957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).