N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide

C8H14F3NO2S — CID 129369369

IUPACN-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-15(13,14)12-7-4-2-3-6(5-7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyNGYTUPNYBALIQU-NKWVEPMBSA-N
MW245.27 g/mol
LogP1.66
Rot. Bonds2

About N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide

N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide (PubChem CID 129369369) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
PubChem CID129369369
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-15(13,14)12-7-4-2-3-6(5-7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyNGYTUPNYBALIQU-NKWVEPMBSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
(4-Methylcyclohexyl)-(trifluoromethylsulfonyl)azanide
CID 58427697
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 58689137
N-methylsulfanyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 59355769
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 90137940
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
[S-(difluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]sulfonimidoyl] hypofluorite
CID 140426522

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide (CID 129369369) is N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The InChIKey is NGYTUPNYBALIQU-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-15(13,14)12-7-4-2-3-6(5-7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide?
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 129369369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).