N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide

C10H19F3N2O2S — CID 53376205

IUPACN-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
SMILESCN(C)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-15(2)7-8-5-3-4-6-9(8)14-18(16,17)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyRAEGSDBFYYHVIO-IUCAKERBSA-N
MW288.34 g/mol
LogP1.55
Rot. Bonds4

About N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide

N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 53376205) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID53376205
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
SMILESCN(C)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-15(2)7-8-5-3-4-6-9(8)14-18(16,17)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyRAEGSDBFYYHVIO-IUCAKERBSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 143893301
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 14965465
1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide
CID 53376311
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 60722094
1-[1-(Difluoromethylsulfonyl)piperidin-3-yl]ethanamine
CID 63855233
1-[1-(Trifluoromethylsulfonyl)piperidin-3-yl]ethanamine
CID 64020443
1-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64753829
N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
CID 64754674
N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
CID 64756481

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide (CID 53376205) is N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide is CN(C)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is RAEGSDBFYYHVIO-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-15(2)7-8-5-3-4-6-9(8)14-18(16,17)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 53376205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).