N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide

C9H14F2N2O2S — CID 61123926

IUPACN-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide
SMILESN#CC(NS(=O)(=O)C(F)F)C1CCCCC1
InChIInChI=1S/C9H14F2N2O2S/c10-9(11)16(14,15)13-8(6-12)7-4-2-1-3-5-7/h7-9,13H,1-5H2
InChIKeyPDSDATNSNGYVKL-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.60
Rot. Bonds4

About N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide

N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 61123926) has the molecular formula C9H14F2N2O2S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID61123926
Molecular FormulaC9H14F2N2O2S
Molecular Weight252.29 g/mol
Exact Mass252.07
IUPAC NameN-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide
SMILESN#CC(NS(=O)(=O)C(F)F)C1CCCCC1
InChIInChI=1S/C9H14F2N2O2S/c10-9(11)16(14,15)13-8(6-12)7-4-2-1-3-5-7/h7-9,13H,1-5H2
InChIKeyPDSDATNSNGYVKL-UHFFFAOYSA-N
XLogP1.60
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
(R)-N-[(S)-cyano-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
CID 163816813
(S)-N-((S)-Cyano(4,4-difluorocyclohexyl)methyl)-2-methylpropane-2-sulfinamide
CID 166822416
(S)-N-[cyano-(3,3-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
CID 170340275
N-[cyano-(3,3-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
CID 170409232
N-[(S)-cyano-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
CID 173979423
N-[3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 53514697
N-(1-cyanocyclohexyl)-1,1-difluoromethanesulfonamide
CID 55138337
N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 60722094
N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 60722151
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide (CID 61123926) is N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide is N#CC(NS(=O)(=O)C(F)F)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is PDSDATNSNGYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2S/c10-9(11)16(14,15)13-8(6-12)7-4-2-1-3-5-7/h7-9,13H,1-5H2.
What are the key properties of N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 252.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61123926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).