4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one

C6H10F2N2O3S — CID 63607965

IUPAC4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C6H10F2N2O3S/c1-4-5(11)9-2-3-10(4)14(12,13)6(7)8/h4,6H,2-3H2,1H3,(H,9,11)
InChIKeyLPDJRKRMBCMKPO-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.64
Rot. Bonds2

About 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one

4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one (PubChem CID 63607965) has the molecular formula C6H10F2N2O3S and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one
PubChem CID63607965
Molecular FormulaC6H10F2N2O3S
Molecular Weight228.22 g/mol
Exact Mass228.04
IUPAC Name4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C6H10F2N2O3S/c1-4-5(11)9-2-3-10(4)14(12,13)6(7)8/h4,6H,2-3H2,1H3,(H,9,11)
InChIKeyLPDJRKRMBCMKPO-UHFFFAOYSA-N
XLogP-0.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 53383311
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
N-[(3S)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
CID 178077789
N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
CID 178077791
2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31872713
2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 33415883
2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 33415889
1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 43602789
2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 45813819
3,3,3-trifluoro-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 45818601
2-[4-(methanesulfonamido)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47134688
1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 54903787

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one (CID 63607965) is 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one?
The InChIKey is LPDJRKRMBCMKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O3S/c1-4-5(11)9-2-3-10(4)14(12,13)6(7)8/h4,6H,2-3H2,1H3,(H,9,11).
What are the key properties of 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one?
4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one has a molecular weight of 228.22 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63607965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).