3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane

C12H26FNO3S — CID 143236361

IUPAC3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane
SMILESCC.CC(F)(CS(=O)(=O)O)C(N)C1CCCCC1
InChIInChI=1S/C10H20FNO3S.C2H6/c1-10(11,7-16(13,14)15)9(12)8-5-3-2-4-6-8;1-2/h8-9H,2-7,12H2,1H3,(H,13,14,15);1-2H3
InChIKeyDXJTYIQZKJGSTC-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane

3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane (PubChem CID 143236361) has the molecular formula C12H26FNO3S and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane.

Molecular Properties

Compound Name3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane
PubChem CID143236361
Molecular FormulaC12H26FNO3S
Molecular Weight283.41 g/mol
Exact Mass283.16
IUPAC Name3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane
SMILESCC.CC(F)(CS(=O)(=O)O)C(N)C1CCCCC1
InChIInChI=1S/C10H20FNO3S.C2H6/c1-10(11,7-16(13,14)15)9(12)8-5-3-2-4-6-8;1-2/h8-9H,2-7,12H2,1H3,(H,13,14,15);1-2H3
InChIKeyDXJTYIQZKJGSTC-UHFFFAOYSA-N
XLogP2.54
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(cycloheptylamino)-2-fluoropropane-1-sulfonic acid
CID 87925243
1-cyclopentyl-2,2-difluoropropan-1-amine
CID 84651643
(3S)-3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11630117
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064562
(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11514107
1-cyclopentyl-2,2-dimethylpropane-1,3-diamine
CID 116933489
1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
CID 116726355
2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
cyclohexyl(ethylsulfonyl)methanamine
CID 54085731
1-cycloheptyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82931326
1-tert-butylsulfonylethylcyclohexane
CID 158143059

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane?
The IUPAC name of 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane (CID 143236361) is 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane.
What is the SMILES notation for 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane?
The canonical SMILES for 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane is CC.CC(F)(CS(=O)(=O)O)C(N)C1CCCCC1.
What is the InChIKey of 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane?
The InChIKey is DXJTYIQZKJGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO3S.C2H6/c1-10(11,7-16(13,14)15)9(12)8-5-3-2-4-6-8;1-2/h8-9H,2-7,12H2,1H3,(H,13,14,15);1-2H3.
What are the key properties of 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane?
3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane has a molecular weight of 283.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid;ethane is sourced from PubChem (CID 143236361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).