3-amino-2,2-difluoro-N-methylsulfonylpropanamide

C4H8F2N2O3S — CID 130600904

IUPAC3-amino-2,2-difluoro-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)C(F)(F)CN
InChIInChI=1S/C4H8F2N2O3S/c1-12(10,11)8-3(9)4(5,6)2-7/h2,7H2,1H3,(H,8,9)
InChIKeyZWHSWMLISONRFJ-UHFFFAOYSA-N
MW202.18 g/mol
LogP-1.34
Rot. Bonds3

About 3-amino-2,2-difluoro-N-methylsulfonylpropanamide

3-amino-2,2-difluoro-N-methylsulfonylpropanamide (PubChem CID 130600904) has the molecular formula C4H8F2N2O3S and a molecular weight of 202.18 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-amino-2,2-difluoro-N-methylsulfonylpropanamide
PubChem CID130600904
Molecular FormulaC4H8F2N2O3S
Molecular Weight202.18 g/mol
Exact Mass202.02
IUPAC Name3-amino-2,2-difluoro-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)C(F)(F)CN
InChIInChI=1S/C4H8F2N2O3S/c1-12(10,11)8-3(9)4(5,6)2-7/h2,7H2,1H3,(H,8,9)
InChIKeyZWHSWMLISONRFJ-UHFFFAOYSA-N
XLogP-1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-N-methylsulfonylpropanamide?
The IUPAC name of 3-amino-2,2-difluoro-N-methylsulfonylpropanamide (CID 130600904) is 3-amino-2,2-difluoro-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-amino-2,2-difluoro-N-methylsulfonylpropanamide?
The canonical SMILES for 3-amino-2,2-difluoro-N-methylsulfonylpropanamide is CS(=O)(=O)NC(=O)C(F)(F)CN.
What is the InChIKey of 3-amino-2,2-difluoro-N-methylsulfonylpropanamide?
The InChIKey is ZWHSWMLISONRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O3S/c1-12(10,11)8-3(9)4(5,6)2-7/h2,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-2,2-difluoro-N-methylsulfonylpropanamide?
3-amino-2,2-difluoro-N-methylsulfonylpropanamide has a molecular weight of 202.18 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-N-methylsulfonylpropanamide is sourced from PubChem (CID 130600904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).