N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide

C7H14F2N2O3S — CID 107493321

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)N(CCN)CC(F)F
InChIInChI=1S/C7H14F2N2O3S/c1-15(13,14)5-7(12)11(3-2-10)4-6(8)9/h6H,2-5,10H2,1H3
InChIKeyVRTWZAODCKPEOH-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.92
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide (PubChem CID 107493321) has the molecular formula C7H14F2N2O3S and a molecular weight of 244.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide
PubChem CID107493321
Molecular FormulaC7H14F2N2O3S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)N(CCN)CC(F)F
InChIInChI=1S/C7H14F2N2O3S/c1-15(13,14)5-7(12)11(3-2-10)4-6(8)9/h6H,2-5,10H2,1H3
InChIKeyVRTWZAODCKPEOH-UHFFFAOYSA-N
XLogP-0.92
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide (CID 107493321) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)N(CCN)CC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide?
The InChIKey is VRTWZAODCKPEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O3S/c1-15(13,14)5-7(12)11(3-2-10)4-6(8)9/h6H,2-5,10H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide has a molecular weight of 244.26 g/mol, XLogP of -0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 107493321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).