N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide

C10H16F2N2O2S — CID 61123890

IUPACN-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H16F2N2O2S/c1-2-8-3-5-10(7-13,6-4-8)14-17(15,16)9(11)12/h8-9,14H,2-6H2,1H3
InChIKeyZJHJIHWSCCXUGR-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.99
Rot. Bonds4

About N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide

N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide (PubChem CID 61123890) has the molecular formula C10H16F2N2O2S and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide
PubChem CID61123890
Molecular FormulaC10H16F2N2O2S
Molecular Weight266.31 g/mol
Exact Mass266.09
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H16F2N2O2S/c1-2-8-3-5-10(7-13,6-4-8)14-17(15,16)9(11)12/h8-9,14H,2-6H2,1H3
InChIKeyZJHJIHWSCCXUGR-UHFFFAOYSA-N
XLogP1.99
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dimethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 177855033
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-(1-cyanocyclohexyl)-1,1-difluoromethanesulfonamide
CID 55138337
N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61124877
N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide
CID 61134006
N-(1-cyano-4-ethylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048028
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059551
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807707
N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
CID 55138339
N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide
CID 61122295
N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide
CID 61122891
N-(1-cyano-4-methylcyclohexyl)methanesulfonamide
CID 61123090

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide (CID 61123890) is N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide is CCC1CCC(C#N)(NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide?
The InChIKey is ZJHJIHWSCCXUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2S/c1-2-8-3-5-10(7-13,6-4-8)14-17(15,16)9(11)12/h8-9,14H,2-6H2,1H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide?
N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide has a molecular weight of 266.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61123890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).