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

C7H12F2N2O3S — CID 63600176

IUPAC4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C7H12F2N2O3S/c1-2-5-6(12)10-3-4-11(5)15(13,14)7(8)9/h5,7H,2-4H2,1H3,(H,10,12)
InChIKeyXUHXHYMTPATLGK-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.25
Rot. Bonds3

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

4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one (PubChem CID 63600176) has the molecular formula C7H12F2N2O3S and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one
PubChem CID63600176
Molecular FormulaC7H12F2N2O3S
Molecular Weight242.25 g/mol
Exact Mass242.05
IUPAC Name4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C7H12F2N2O3S/c1-2-5-6(12)10-3-4-11(5)15(13,14)7(8)9/h5,7H,2-4H2,1H3,(H,10,12)
InChIKeyXUHXHYMTPATLGK-UHFFFAOYSA-N
XLogP-0.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-Amino-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 60939910
N-[(3S)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
CID 178077789
N-[(3R)-1-(trifluoromethylsulfonyl)piperidin-3-yl]acetamide
CID 178077791
3-(1,1-Difluoroethyl)piperazine-2,5-dione
CID 15736096
2,5-Piperazinedione, 3-(1,1-difluoroethyl)-6-methyl-, (3S-cis)-
CID 15736098
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
N-methyl-2-[4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]acetamide
CID 60306488

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one (CID 63600176) is 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one?
The InChIKey is XUHXHYMTPATLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O3S/c1-2-5-6(12)10-3-4-11(5)15(13,14)7(8)9/h5,7H,2-4H2,1H3,(H,10,12).
What are the key properties of 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one?
4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one has a molecular weight of 242.25 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).