N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide

C7H12F2N2O2S — CID 61124910

IUPACN-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)C(F)F
InChIInChI=1S/C7H12F2N2O2S/c1-3-7(4-2,5-10)11-14(12,13)6(8)9/h6,11H,3-4H2,1-2H3
InChIKeyYGLADHFGKKKYBE-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.21
Rot. Bonds5

About N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide

N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide (PubChem CID 61124910) has the molecular formula C7H12F2N2O2S and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide
PubChem CID61124910
Molecular FormulaC7H12F2N2O2S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC NameN-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)C(F)F
InChIInChI=1S/C7H12F2N2O2S/c1-3-7(4-2,5-10)11-14(12,13)6(8)9/h6,11H,3-4H2,1-2H3
InChIKeyYGLADHFGKKKYBE-UHFFFAOYSA-N
XLogP1.21
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124505
N-(2-cyanopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61128074
N-(2-cyanobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059830
N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059831
1,1,1-trifluoro-N-(3-methylpentan-3-yl)methanesulfonamide
CID 102232704
N-(2-cyanobutan-2-yl)methanesulfonamide
CID 61122704
N-(3-cyanopentan-3-yl)methanesulfonamide
CID 61123517

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide (CID 61124910) is N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide is CCC(C#N)(CC)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is YGLADHFGKKKYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2S/c1-3-7(4-2,5-10)11-14(12,13)6(8)9/h6,11H,3-4H2,1-2H3.
What are the key properties of N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide?
N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 226.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).