4-methylsulfonylpiperazin-2-one

C5H10N2O3S — CID 13190468

IUPAC4-methylsulfonylpiperazin-2-one
SMILESCS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C5H10N2O3S/c1-11(9,10)7-3-2-6-5(8)4-7/h2-4H2,1H3,(H,6,8)
InChIKeyOOGMZUVDPWTYIC-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.62
Rot. Bonds1

About 4-methylsulfonylpiperazin-2-one

4-methylsulfonylpiperazin-2-one (PubChem CID 13190468) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 4-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-methylsulfonylpiperazin-2-one
PubChem CID13190468
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name4-methylsulfonylpiperazin-2-one
SMILESCS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C5H10N2O3S/c1-11(9,10)7-3-2-6-5(8)4-7/h2-4H2,1H3,(H,6,8)
InChIKeyOOGMZUVDPWTYIC-UHFFFAOYSA-N
XLogP-1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Butylsulfonylpiperazin-2-one
CID 47371379
1,4-Bis(methylsulfonyl)piperazin-2-one
CID 600837
3-Oxopiperazine-1-sulfonamide
CID 43132045
2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31872713
1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 43602789
1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 54903787
2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961740
1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 60894398
4-(Difluoromethylsulfonyl)piperazin-2-one
CID 62733685
4-(Trifluoromethylsulfonyl)piperazin-2-one
CID 62850388
1-(4-Methylsulfonylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924245
N-[2-(methanesulfonamido)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958022

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpiperazin-2-one?
The IUPAC name of 4-methylsulfonylpiperazin-2-one (CID 13190468) is 4-methylsulfonylpiperazin-2-one.
What is the SMILES notation for 4-methylsulfonylpiperazin-2-one?
The canonical SMILES for 4-methylsulfonylpiperazin-2-one is CS(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-methylsulfonylpiperazin-2-one?
The InChIKey is OOGMZUVDPWTYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-11(9,10)7-3-2-6-5(8)4-7/h2-4H2,1H3,(H,6,8).
What are the key properties of 4-methylsulfonylpiperazin-2-one?
4-methylsulfonylpiperazin-2-one has a molecular weight of 178.21 g/mol, XLogP of -1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 13190468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).