(4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide

C8H13F3NO2S- — CID 58427697

IUPAC(4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide
SMILESCC1CCC([N-]S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3NO2S/c1-6-2-4-7(5-3-6)12-15(13,14)8(9,10)11/h6-7H,2-5H2,1H3/q-1
InChIKeyHGBFOQYKGFLVKJ-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.79
Rot. Bonds2

About (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide

(4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide (PubChem CID 58427697) has the molecular formula C8H13F3NO2S- and a molecular weight of 244.26 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide
PubChem CID58427697
Molecular FormulaC8H13F3NO2S-
Molecular Weight244.26 g/mol
Exact Mass244.06
IUPAC Name(4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide
SMILESCC1CCC([N-]S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3NO2S/c1-6-2-4-7(5-3-6)12-15(13,14)8(9,10)11/h6-7H,2-5H2,1H3/q-1
InChIKeyHGBFOQYKGFLVKJ-UHFFFAOYSA-N
XLogP2.79
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dimethyl-oxo-[4-(trifluoromethyl)cyclohexyl]imino-lambda6-sulfane
CID 137639544
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
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
[3-(Trifluoromethyl)cyclohexyl]-(trifluoromethylsulfonyl)azanide
CID 140490836
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
Cyclohexylmethyl(trifluoromethylsulfonyl)azanide
CID 164746445
1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 14965465
N-[3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 53514697
N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 60722094

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide?
The IUPAC name of (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide (CID 58427697) is (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide is CC1CCC([N-]S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide?
The InChIKey is HGBFOQYKGFLVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3NO2S/c1-6-2-4-7(5-3-6)12-15(13,14)8(9,10)11/h6-7H,2-5H2,1H3/q-1.
What are the key properties of (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide?
(4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide has a molecular weight of 244.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58427697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).