N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide

C8H15F2NO2S — CID 126766492

IUPACN-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide
SMILESCN(C1CCC(F)(F)CC1)S(C)(=O)=O
InChIInChI=1S/C8H15F2NO2S/c1-11(14(2,12)13)7-3-5-8(9,10)6-4-7/h7H,3-6H2,1-2H3
InChIKeyDDGSEYZPHJANBH-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.46
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide

N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide (PubChem CID 126766492) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide
PubChem CID126766492
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide
SMILESCN(C1CCC(F)(F)CC1)S(C)(=O)=O
InChIInChI=1S/C8H15F2NO2S/c1-11(14(2,12)13)7-3-5-8(9,10)6-4-7/h7H,3-6H2,1-2H3
InChIKeyDDGSEYZPHJANBH-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethylmethanesulfonamide
CID 799015
N-cyclohexyl-N-methylmethanesulfonamide
CID 706834
N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide
CID 23227871
N,N-dicyclohexyl-1,1-difluoromethanesulfonamide
CID 58435940
1-(Difluoromethylsulfonyl)-2,6-dimethylpiperidine
CID 58436028
2-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 85727493
Cyclohexyl(trimethyl)azanium;trifluoromethanesulfonate
CID 118450342
Cyclohexyl(trimethyl)azanium;trifluoromethanesulfonic acid
CID 118450344
4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine
CID 123463643
Cyclohexyl(trifluoromethylsulfonyl)azanide
CID 140579223
N-cyclohexyl-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 153662757
lithium N-(4,4-difluorocyclohexyl)-N-methylsulfamate
CID 156663422

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide (CID 126766492) is N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide is CN(C1CCC(F)(F)CC1)S(C)(=O)=O.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide?
The InChIKey is DDGSEYZPHJANBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-11(14(2,12)13)7-3-5-8(9,10)6-4-7/h7H,3-6H2,1-2H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide?
N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 126766492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).