N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide

C6H10F2N2O2S — CID 61124505

IUPACN-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2S/c1-3-6(2,4-9)10-13(11,12)5(7)8/h5,10H,3H2,1-2H3
InChIKeyWKOGRULGHGIZJK-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.82
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide

N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 61124505) has the molecular formula C6H10F2N2O2S and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID61124505
Molecular FormulaC6H10F2N2O2S
Molecular Weight212.22 g/mol
Exact Mass212.04
IUPAC NameN-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2S/c1-3-6(2,4-9)10-13(11,12)5(7)8/h5,10H,3H2,1-2H3
InChIKeyWKOGRULGHGIZJK-UHFFFAOYSA-N
XLogP0.82
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanopentan-3-yl)-1,1-difluoromethanesulfonamide
CID 61124910
N-(2-cyanopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61128074
N-(1-cyano-2-methylpropyl)-1,1-difluoromethanesulfonamide
CID 64426740
N-(2-cyanopropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058902
N-(2-cyanobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059830
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-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide (CID 61124505) is N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide is CCC(C)(C#N)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is WKOGRULGHGIZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O2S/c1-3-6(2,4-9)10-13(11,12)5(7)8/h5,10H,3H2,1-2H3.
What are the key properties of N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide?
N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 212.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).