N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide

C9H17F2NO2S — CID 157077652

IUPACN-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide
SMILESC[C@H]1CCC[C@@H](CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H17F2NO2S/c1-7-4-3-5-8(9(7,10)11)6-12-15(2,13)14/h7-8,12H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyADDVTYMXWGFPML-YUMQZZPRSA-N
MW241.30 g/mol
LogP1.61
Rot. Bonds3

About N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide

N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide (PubChem CID 157077652) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide
PubChem CID157077652
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC NameN-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide
SMILESC[C@H]1CCC[C@@H](CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H17F2NO2S/c1-7-4-3-5-8(9(7,10)11)6-12-15(2,13)14/h7-8,12H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyADDVTYMXWGFPML-YUMQZZPRSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 58689137
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-(6-fluoro-6-methylheptyl)methanesulfonamide
CID 91482416
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
N-(2,6-diethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 140430226

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide (CID 157077652) is N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide is C[C@H]1CCC[C@@H](CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide?
The InChIKey is ADDVTYMXWGFPML-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-7-4-3-5-8(9(7,10)11)6-12-15(2,13)14/h7-8,12H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide?
N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide has a molecular weight of 241.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 157077652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).