5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one

C11H19N3O4S2 — CID 107436946

IUPAC5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H19N3O4S2/c1-2-20(17,18)10-7-19-4-3-14(10)11(16)8-5-13-9(15)6-12-8/h8,10,12H,2-7H2,1H3,(H,13,15)
InChIKeyXRZJABFGLWXSDU-UHFFFAOYSA-N
MW321.42 g/mol
LogP-1.59
Rot. Bonds3

About 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one

5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one (PubChem CID 107436946) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one
PubChem CID107436946
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H19N3O4S2/c1-2-20(17,18)10-7-19-4-3-14(10)11(16)8-5-13-9(15)6-12-8/h8,10,12H,2-7H2,1H3,(H,13,15)
InChIKeyXRZJABFGLWXSDU-UHFFFAOYSA-N
XLogP-1.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(5-oxopiperazine-2-carbonyl)thiomorpholine-3-carboxylate
CID 107435028
(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone
CID 66378520
2-(3-ethylsulfonylthiomorpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 66377123
[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66375815
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 102893294
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
3-chloro-1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 66376553
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 66377198
4-(3-ethylsulfonylthiomorpholin-4-yl)-4-oxobut-2-enoic acid
CID 77135722
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one?
The IUPAC name of 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one (CID 107436946) is 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one is CCS(=O)(=O)C1CSCCN1C(=O)C1CNC(=O)CN1.
What is the InChIKey of 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one?
The InChIKey is XRZJABFGLWXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-2-20(17,18)10-7-19-4-3-14(10)11(16)8-5-13-9(15)6-12-8/h8,10,12H,2-7H2,1H3,(H,13,15).
What are the key properties of 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one?
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one has a molecular weight of 321.42 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 107436946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).