3,3-dimethyl-4-methylsulfonylpiperazin-2-one

C7H14N2O3S — CID 63607438

IUPAC3,3-dimethyl-4-methylsulfonylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-7(2)6(10)8-4-5-9(7)13(3,11)12/h4-5H2,1-3H3,(H,8,10)
InChIKeyBLBAURIRROYVDR-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.84
Rot. Bonds1

About 3,3-dimethyl-4-methylsulfonylpiperazin-2-one

3,3-dimethyl-4-methylsulfonylpiperazin-2-one (PubChem CID 63607438) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-methylsulfonylpiperazin-2-one
PubChem CID63607438
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name3,3-dimethyl-4-methylsulfonylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-7(2)6(10)8-4-5-9(7)13(3,11)12/h4-5H2,1-3H3,(H,8,10)
InChIKeyBLBAURIRROYVDR-UHFFFAOYSA-N
XLogP-0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methylpropyl)-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383315
1-cyclopropyl-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383319
N,N,2,2-tetramethyl-5-oxopiperazine-1-sulfonamide
CID 121526073
4-(Methylsulfonyl)piperazin-2-one
CID 13190468
4-(Difluoromethylsulfonyl)-3-ethylpiperazin-2-one
CID 63600176
4-(Difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one
CID 63605898
3,3-Dimethyl-4-(trifluoromethylsulfonyl)piperazin-2-one
CID 63606397
4-(Difluoromethylsulfonyl)-3-methylpiperazin-2-one
CID 63607965
3-Methyl-4-(trifluoromethylsulfonyl)piperazin-2-one
CID 63608141
4-(Difluoromethylsulfonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074231
2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 79797166
3,3-Dimethyl-4-(4,4,4-trifluorobutylsulfonyl)piperazin-2-one
CID 82903557

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-methylsulfonylpiperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-methylsulfonylpiperazin-2-one (CID 63607438) is 3,3-dimethyl-4-methylsulfonylpiperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-methylsulfonylpiperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-methylsulfonylpiperazin-2-one is CC1(C)C(=O)NCCN1S(C)(=O)=O.
What is the InChIKey of 3,3-dimethyl-4-methylsulfonylpiperazin-2-one?
The InChIKey is BLBAURIRROYVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-7(2)6(10)8-4-5-9(7)13(3,11)12/h4-5H2,1-3H3,(H,8,10).
What are the key properties of 3,3-dimethyl-4-methylsulfonylpiperazin-2-one?
3,3-dimethyl-4-methylsulfonylpiperazin-2-one has a molecular weight of 206.27 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 63607438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).