4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one

C10H17NO5S — CID 117009620

IUPAC4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one
SMILESO=C1COCC(CCO)N1C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO5S/c12-3-1-8-5-16-6-10(13)11(8)9-2-4-17(14,15)7-9/h8-9,12H,1-7H2
InChIKeyJBTWCKJWLIKHJR-UHFFFAOYSA-N
MW263.31 g/mol
LogP-1.22
Rot. Bonds3

About 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one

4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one (PubChem CID 117009620) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one
PubChem CID117009620
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one
SMILESO=C1COCC(CCO)N1C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO5S/c12-3-1-8-5-16-6-10(13)11(8)9-2-4-17(14,15)7-9/h8-9,12H,1-7H2
InChIKeyJBTWCKJWLIKHJR-UHFFFAOYSA-N
XLogP-1.22
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
1-cyclopropyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115013568
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
CID 115102678
1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one
CID 117013989
[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol
CID 62021749
1-(1,1-dioxothiolan-3-yl)pyrrolidine-2,4-dione
CID 79517072
3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
CID 51721408
8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739939

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one?
The IUPAC name of 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one (CID 117009620) is 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one.
What is the SMILES notation for 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one?
The canonical SMILES for 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one is O=C1COCC(CCO)N1C1CCS(=O)(=O)C1.
What is the InChIKey of 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one?
The InChIKey is JBTWCKJWLIKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c12-3-1-8-5-16-6-10(13)11(8)9-2-4-17(14,15)7-9/h8-9,12H,1-7H2.
What are the key properties of 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one?
4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one has a molecular weight of 263.31 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one is sourced from PubChem (CID 117009620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).