cyclohexylmethyl(trifluoromethylsulfonyl)azanide

C8H13F3NO2S- — CID 164746445

IUPACcyclohexylmethyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H13F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h7H,1-6H2/q-1
InChIKeyRUULAKUFARGBEV-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.79
Rot. Bonds3

About cyclohexylmethyl(trifluoromethylsulfonyl)azanide

cyclohexylmethyl(trifluoromethylsulfonyl)azanide (PubChem CID 164746445) has the molecular formula C8H13F3NO2S- and a molecular weight of 244.26 g/mol. Its IUPAC name is cyclohexylmethyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namecyclohexylmethyl(trifluoromethylsulfonyl)azanide
PubChem CID164746445
Molecular FormulaC8H13F3NO2S-
Molecular Weight244.26 g/mol
Exact Mass244.06
IUPAC Namecyclohexylmethyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]CC1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H13F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h7H,1-6H2/q-1
InChIKeyRUULAKUFARGBEV-UHFFFAOYSA-N
XLogP2.79
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
(4-Methylcyclohexyl)-(trifluoromethylsulfonyl)azanide
CID 58427697
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-(cyclohexylmethyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 134244006
[S-(difluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]sulfonimidoyl] hypofluorite
CID 140426522
[3-(Trifluoromethyl)cyclohexyl]-(trifluoromethylsulfonyl)azanide
CID 140490836
N-[(2,2-difluorocyclohexyl)methyl]methanesulfonamide
CID 126793658
N-[[(1R)-2,2-difluorocyclohexyl]methyl]methanesulfonamide
CID 129322265
N-[[(1S)-2,2-difluorocyclohexyl]methyl]methanesulfonamide
CID 129322266
N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide
CID 162109513
N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide
CID 163930822
N-(cyclohexylmethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide
CID 169937487

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of cyclohexylmethyl(trifluoromethylsulfonyl)azanide (CID 164746445) is cyclohexylmethyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for cyclohexylmethyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for cyclohexylmethyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]CC1CCCCC1)C(F)(F)F.
What is the InChIKey of cyclohexylmethyl(trifluoromethylsulfonyl)azanide?
The InChIKey is RUULAKUFARGBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h7H,1-6H2/q-1.
What are the key properties of cyclohexylmethyl(trifluoromethylsulfonyl)azanide?
cyclohexylmethyl(trifluoromethylsulfonyl)azanide has a molecular weight of 244.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 164746445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).