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

C8H15F2N3O3S — CID 43602789

IUPAC1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2N3O3S/c1-12(17(15,16)8(9)10)6-7(14)13-4-2-11-3-5-13/h8,11H,2-6H2,1H3
InChIKeyNWYVKXSQXKLQDN-UHFFFAOYSA-N
MW271.29 g/mol
LogP-1.10
Rot. Bonds4

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

1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 43602789) has the molecular formula C8H15F2N3O3S and a molecular weight of 271.29 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID43602789
Molecular FormulaC8H15F2N3O3S
Molecular Weight271.29 g/mol
Exact Mass271.08
IUPAC Name1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2N3O3S/c1-12(17(15,16)8(9)10)6-7(14)13-4-2-11-3-5-13/h8,11H,2-6H2,1H3
InChIKeyNWYVKXSQXKLQDN-UHFFFAOYSA-N
XLogP-1.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (CID 43602789) is 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is CN(CC(=O)N1CCNCC1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is NWYVKXSQXKLQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O3S/c1-12(17(15,16)8(9)10)6-7(14)13-4-2-11-3-5-13/h8,11H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 271.29 g/mol, XLogP of -1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 43602789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).