N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide

C8H15F2NO2S — CID 162109513

IUPACN-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-14(12,13)11-6-7-3-2-4-8(9,10)5-7/h7,11H,2-6H2,1H3
InChIKeyREMAYSKRJQYTRF-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.36
Rot. Bonds3

About N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide

N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide (PubChem CID 162109513) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide
PubChem CID162109513
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2NO2S/c1-14(12,13)11-6-7-3-2-4-8(9,10)5-7/h7,11H,2-6H2,1H3
InChIKeyREMAYSKRJQYTRF-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.36
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-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 129294877
N-(cyclohexylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294878
N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 129294893
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide (CID 162109513) is N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide?
The InChIKey is REMAYSKRJQYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-14(12,13)11-6-7-3-2-4-8(9,10)5-7/h7,11H,2-6H2,1H3.
What are the key properties of N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide?
N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 162109513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).