N-(2-aminoethyl)-1,1-difluoromethanesulfonamide

C3H8F2N2O2S — CID 28606994

IUPACN-(2-aminoethyl)-1,1-difluoromethanesulfonamide
SMILESNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C3H8F2N2O2S/c4-3(5)10(8,9)7-2-1-6/h3,7H,1-2,6H2
InChIKeyNIIRPSZVQNSQJE-UHFFFAOYSA-N
MW174.17 g/mol
LogP-0.91
Rot. Bonds4

About N-(2-aminoethyl)-1,1-difluoromethanesulfonamide

N-(2-aminoethyl)-1,1-difluoromethanesulfonamide (PubChem CID 28606994) has the molecular formula C3H8F2N2O2S and a molecular weight of 174.17 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1-difluoromethanesulfonamide
PubChem CID28606994
Molecular FormulaC3H8F2N2O2S
Molecular Weight174.17 g/mol
Exact Mass174.03
IUPAC NameN-(2-aminoethyl)-1,1-difluoromethanesulfonamide
SMILESNCCNS(=O)(=O)C(F)F
InChIInChI=1S/C3H8F2N2O2S/c4-3(5)10(8,9)7-2-1-6/h3,7H,1-2,6H2
InChIKeyNIIRPSZVQNSQJE-UHFFFAOYSA-N
XLogP-0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,1-difluoromethanesulfonamide (CID 28606994) is N-(2-aminoethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,1-difluoromethanesulfonamide is NCCNS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminoethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is NIIRPSZVQNSQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2N2O2S/c4-3(5)10(8,9)7-2-1-6/h3,7H,1-2,6H2.
What are the key properties of N-(2-aminoethyl)-1,1-difluoromethanesulfonamide?
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 174.17 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28606994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).