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

C9H18N2O4S — CID 63608305

IUPAC4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
SMILESCOCCS(=O)(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H18N2O4S/c1-9(2)8(12)10-4-5-11(9)16(13,14)7-6-15-3/h4-7H2,1-3H3,(H,10,12)
InChIKeyVYHYDWRZGNEJCZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.83
Rot. Bonds4

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

4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63608305) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
PubChem CID63608305
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
SMILESCOCCS(=O)(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H18N2O4S/c1-9(2)8(12)10-4-5-11(9)16(13,14)7-6-15-3/h4-7H2,1-3H3,(H,10,12)
InChIKeyVYHYDWRZGNEJCZ-UHFFFAOYSA-N
XLogP-0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
CID 55216322
4-ethylsulfonyl-3,3-dimethylpiperazin-2-one
CID 63607786
3-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylpropanoic acid
CID 63606656
3,3-dimethyl-4-[3-(propan-2-ylamino)propylsulfonyl]piperazin-2-one
CID 63607109
4-(cyclohexylmethylsulfonyl)-3,3-dimethylpiperazin-2-one
CID 55215552
4-cyclopentylsulfonyl-3,3-dimethylpiperazin-2-one
CID 115634074
4-(azepan-1-ylsulfonyl)-3,3-dimethylpiperazin-2-one
CID 63605726
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63607388
4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 81441158
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid
CID 103224753
4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607088
4-(4-methoxy-2-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 110708016

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one (CID 63608305) is 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one is COCCS(=O)(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is VYHYDWRZGNEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-9(2)8(12)10-4-5-11(9)16(13,14)7-6-15-3/h4-7H2,1-3H3,(H,10,12).
What are the key properties of 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one?
4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 250.32 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63608305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).