1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide

C10H18F3NO2S — CID 176856861

IUPAC1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
SMILESCC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-7(2)8-5-3-4-6-9(8)14-17(15,16)10(11,12)13/h7-9,14H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyWCZIJGYLDHICIW-DTWKUNHWSA-N
MW273.32 g/mol
LogP2.64
Rot. Bonds3

About 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide

1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide (PubChem CID 176856861) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
PubChem CID176856861
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
SMILESCC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-7(2)8-5-3-4-6-9(8)14-17(15,16)10(11,12)13/h7-9,14H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyWCZIJGYLDHICIW-DTWKUNHWSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
CID 143893294
N-(methylsulfonimidoyl)-2-propan-2-ylcyclohexan-1-amine
CID 164644373
N-(2-propan-2-ylcyclohexyl)ethanesulfonamide
CID 59292409
N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87792256
N-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 142212218
2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide
CID 103733541
trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
CID 124709501
ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 19815319
N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene
CID 87833910
N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
CID 11270098
N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958094
N,2-di(propan-2-yl)cycloheptan-1-amine
CID 164647627

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide (CID 176856861) is 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide is CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide?
The InChIKey is WCZIJGYLDHICIW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-7(2)8-5-3-4-6-9(8)14-17(15,16)10(11,12)13/h7-9,14H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide?
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 176856861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).