(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

C11H20N2O4S2 — CID 66376972

IUPAC(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1COCC1N
InChIInChI=1S/C11H20N2O4S2/c1-2-19(15,16)10-7-18-4-3-13(10)11(14)8-5-17-6-9(8)12/h8-10H,2-7,12H2,1H3
InChIKeyUTMROMJWOMAKCC-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.70
Rot. Bonds3

About (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66376972) has the molecular formula C11H20N2O4S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66376972
Molecular FormulaC11H20N2O4S2
Molecular Weight308.43 g/mol
Exact Mass308.09
IUPAC Name(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C1COCC1N
InChIInChI=1S/C11H20N2O4S2/c1-2-19(15,16)10-7-18-4-3-13(10)11(14)8-5-17-6-9(8)12/h8-10H,2-7,12H2,1H3
InChIKeyUTMROMJWOMAKCC-UHFFFAOYSA-N
XLogP-0.70
TPSA89.70 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 ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminooxolan-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66384018
2-(3-ethylsulfonylthiomorpholine-4-carbonyl)cyclopropane-1-carboxylic acid
CID 66377123
[2-(aminomethyl)cyclopentyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66375815
(3-ethylsulfonylthiomorpholin-4-yl)-morpholin-3-ylmethanone
CID 66378520
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
2-hydroxyethyl 3-ethylsulfonylthiomorpholine-4-carboxylate
CID 79348567
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
azepan-1-yl-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 116656575
4-(3-ethylsulfonylthiomorpholin-4-yl)-4-oxobut-2-enoic acid
CID 77135722
2-(tert-butylamino)-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 79256888
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77135692

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (CID 66376972) is (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)C1COCC1N.
What is the InChIKey of (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is UTMROMJWOMAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S2/c1-2-19(15,16)10-7-18-4-3-13(10)11(14)8-5-17-6-9(8)12/h8-10H,2-7,12H2,1H3.
What are the key properties of (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
(4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 308.43 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66376972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).