1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide

C7H13F2N3O3S — CID 60894398

IUPAC1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=C(CNS(=O)(=O)C(F)F)N1CCNCC1
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)11-5-6(13)12-3-1-10-2-4-12/h7,10-11H,1-5H2
InChIKeyAYDSJNAYGJKGKV-UHFFFAOYSA-N
MW257.26 g/mol
LogP-1.44
Rot. Bonds4

About 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide

1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 60894398) has the molecular formula C7H13F2N3O3S and a molecular weight of 257.26 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID60894398
Molecular FormulaC7H13F2N3O3S
Molecular Weight257.26 g/mol
Exact Mass257.06
IUPAC Name1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=C(CNS(=O)(=O)C(F)F)N1CCNCC1
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)11-5-6(13)12-3-1-10-2-4-12/h7,10-11H,1-5H2
InChIKeyAYDSJNAYGJKGKV-UHFFFAOYSA-N
XLogP-1.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (CID 60894398) is 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is O=C(CNS(=O)(=O)C(F)F)N1CCNCC1.
What is the InChIKey of 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is AYDSJNAYGJKGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)11-5-6(13)12-3-1-10-2-4-12/h7,10-11H,1-5H2.
What are the key properties of 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 257.26 g/mol, XLogP of -1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 60894398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).