4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one

C7H12F2N2O3S — CID 63605898

IUPAC4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C7H12F2N2O3S/c1-7(2)5(12)10-3-4-11(7)15(13,14)6(8)9/h6H,3-4H2,1-2H3,(H,10,12)
InChIKeySUEQRIIDRDHOPD-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.25
Rot. Bonds2

About 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one

4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63605898) has the molecular formula C7H12F2N2O3S and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one
PubChem CID63605898
Molecular FormulaC7H12F2N2O3S
Molecular Weight242.25 g/mol
Exact Mass242.05
IUPAC Name4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C7H12F2N2O3S/c1-7(2)5(12)10-3-4-11(7)15(13,14)6(8)9/h6H,3-4H2,1-2H3,(H,10,12)
InChIKeySUEQRIIDRDHOPD-UHFFFAOYSA-N
XLogP-0.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one (CID 63605898) is 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is SUEQRIIDRDHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O3S/c1-7(2)5(12)10-3-4-11(7)15(13,14)6(8)9/h6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one?
4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 242.25 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63605898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).