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

C10H20N2O4S — CID 55216322

IUPAC4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
SMILESCCOCCS(=O)(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H20N2O4S/c1-4-16-7-8-17(14,15)12-6-5-11-9(13)10(12,2)3/h4-8H2,1-3H3,(H,11,13)
InChIKeyAXERESHSIKKQEC-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.44
Rot. Bonds5

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

4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 55216322) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
PubChem CID55216322
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
SMILESCCOCCS(=O)(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H20N2O4S/c1-4-16-7-8-17(14,15)12-6-5-11-9(13)10(12,2)3/h4-8H2,1-3H3,(H,11,13)
InChIKeyAXERESHSIKKQEC-UHFFFAOYSA-N
XLogP-0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
CID 63608305
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-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 110708036
4-(5-ethylthiophen-2-yl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63605722
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607088
(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
CID 104975175

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one (CID 55216322) is 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one is CCOCCS(=O)(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is AXERESHSIKKQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-4-16-7-8-17(14,15)12-6-5-11-9(13)10(12,2)3/h4-8H2,1-3H3,(H,11,13).
What are the key properties of 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one?
4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 264.35 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 55216322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).