[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol

C9H17F3N2O3S — CID 106543952

IUPAC[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol
SMILESO=S(=O)(NCC(F)(F)F)NC1CCCCC1CO
InChIInChI=1S/C9H17F3N2O3S/c10-9(11,12)6-13-18(16,17)14-8-4-2-1-3-7(8)5-15/h7-8,13-15H,1-6H2
InChIKeyZDOFNGQXPAJGHG-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.52
Rot. Bonds5

About [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol

[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol (PubChem CID 106543952) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol
PubChem CID106543952
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol
SMILESO=S(=O)(NCC(F)(F)F)NC1CCCCC1CO
InChIInChI=1S/C9H17F3N2O3S/c10-9(11,12)6-13-18(16,17)14-8-4-2-1-3-7(8)5-15/h7-8,13-15H,1-6H2
InChIKeyZDOFNGQXPAJGHG-UHFFFAOYSA-N
XLogP0.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
[2-(propylsulfamoylamino)cyclopentyl]methanol
CID 106364586
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
N-[2-(hydroxymethyl)cyclopentyl]cyclopropanesulfonamide
CID 103835909
3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103816678
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968
1-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697794
2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol?
The IUPAC name of [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol (CID 106543952) is [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol is O=S(=O)(NCC(F)(F)F)NC1CCCCC1CO.
What is the InChIKey of [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol?
The InChIKey is ZDOFNGQXPAJGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c10-9(11,12)6-13-18(16,17)14-8-4-2-1-3-7(8)5-15/h7-8,13-15H,1-6H2.
What are the key properties of [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol?
[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol has a molecular weight of 290.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol is sourced from PubChem (CID 106543952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).