N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide

C6H10F2N2O2S — CID 61123071

IUPACN-(1-cyanobutyl)-1,1-difluoromethanesulfonamide
SMILESCCCC(C#N)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2S/c1-2-3-5(4-9)10-13(11,12)6(7)8/h5-6,10H,2-3H2,1H3
InChIKeyCMDXBQWVGULQEU-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.82
Rot. Bonds5

About N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide

N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide (PubChem CID 61123071) has the molecular formula C6H10F2N2O2S and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-1,1-difluoromethanesulfonamide
PubChem CID61123071
Molecular FormulaC6H10F2N2O2S
Molecular Weight212.22 g/mol
Exact Mass212.04
IUPAC NameN-(1-cyanobutyl)-1,1-difluoromethanesulfonamide
SMILESCCCC(C#N)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2S/c1-2-3-5(4-9)10-13(11,12)6(7)8/h5-6,10H,2-3H2,1H3
InChIKeyCMDXBQWVGULQEU-UHFFFAOYSA-N
XLogP0.82
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(1-cyanopentan-3-yl)-1,1,1-trifluoromethanesulfonamide
CID 138973901
1,1,1-trifluoro-N-pentan-2-ylmethanesulfonamide
CID 87844438
N-(1-cyanoethyl)-1,1-difluoromethanesulfonamide
CID 61122840
N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61122982
N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide
CID 61124055
N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
CID 61133408
N-(4-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 62094398
N-(1-cyanopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 62094801
N-(1-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 62645649
N-(1-aminopentan-3-yl)-1,1-difluoromethanesulfonamide
CID 62651065
N-(3-cyanopropyl)-1,1-difluoromethanesulfonamide
CID 62668501
N-(3-aminobutyl)-1,1-difluoromethanesulfonamide
CID 63251708

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide (CID 61123071) is N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide is CCCC(C#N)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide?
The InChIKey is CMDXBQWVGULQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O2S/c1-2-3-5(4-9)10-13(11,12)6(7)8/h5-6,10H,2-3H2,1H3.
What are the key properties of N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide?
N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide has a molecular weight of 212.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61123071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).