N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide

C5H8F2N2O2S — CID 61124055

IUPACN-(1-cyanopropyl)-1,1-difluoromethanesulfonamide
SMILESCCC(C#N)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H8F2N2O2S/c1-2-4(3-8)9-12(10,11)5(6)7/h4-5,9H,2H2,1H3
InChIKeyPCFRCLJXIGEULK-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.43
Rot. Bonds4

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

N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide (PubChem CID 61124055) has the molecular formula C5H8F2N2O2S and a molecular weight of 198.19 g/mol. Its IUPAC name is N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-1,1-difluoromethanesulfonamide
PubChem CID61124055
Molecular FormulaC5H8F2N2O2S
Molecular Weight198.19 g/mol
Exact Mass198.03
IUPAC NameN-(1-cyanopropyl)-1,1-difluoromethanesulfonamide
SMILESCCC(C#N)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H8F2N2O2S/c1-2-4(3-8)9-12(10,11)5(6)7/h4-5,9H,2H2,1H3
InChIKeyPCFRCLJXIGEULK-UHFFFAOYSA-N
XLogP0.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.43
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
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
N-[(1S)-1-cyano-2,2-difluoroethyl]-2-methylpropane-2-sulfonamide
CID 174234358
N-(1-cyanoethyl)-1,1-difluoromethanesulfonamide
CID 61122840
N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61122982
N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide
CID 61123071
N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124154
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-(2-cyanoethyl)-1,1-difluoromethanesulfonamide
CID 62651488

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide (CID 61124055) is N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide is CCC(C#N)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide?
The InChIKey is PCFRCLJXIGEULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O2S/c1-2-4(3-8)9-12(10,11)5(6)7/h4-5,9H,2H2,1H3.
What are the key properties of N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide?
N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide has a molecular weight of 198.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).