(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone

C11H20N2O4S2 — CID 66378520

IUPAC(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1COCCN1
InChIInChI=1S/C11H20N2O4S2/c1-2-19(15,16)10-8-18-6-4-13(10)11(14)9-7-17-5-3-12-9/h9-10,12H,2-8H2,1H3
InChIKeyLPJDETPBCNWTID-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.69
Rot. Bonds3

About (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone

(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone (PubChem CID 66378520) has the molecular formula C11H20N2O4S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone
PubChem CID66378520
Molecular FormulaC11H20N2O4S2
Molecular Weight308.43 g/mol
Exact Mass308.09
IUPAC Name(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1COCCN1
InChIInChI=1S/C11H20N2O4S2/c1-2-19(15,16)10-8-18-6-4-13(10)11(14)9-7-17-5-3-12-9/h9-10,12H,2-8H2,1H3
InChIKeyLPJDETPBCNWTID-UHFFFAOYSA-N
XLogP-0.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376972
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)piperazin-2-one
CID 107436946
2-(3-ethylsulfonylthiomorpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 66377123
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 102893294
2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 79256888
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66375815
3-chloro-1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 66376553
2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
CID 79348567
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 (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone?
The IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone (CID 66378520) is (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone.
What is the SMILES notation for (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone?
The canonical SMILES for (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone is CCS(=O)(=O)C1CSCCN1C(=O)C1COCCN1.
What is the InChIKey of (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone?
The InChIKey is LPJDETPBCNWTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S2/c1-2-19(15,16)10-8-18-6-4-13(10)11(14)9-7-17-5-3-12-9/h9-10,12H,2-8H2,1H3.
What are the key properties of (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone?
(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone has a molecular weight of 308.43 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone is sourced from PubChem (CID 66378520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).