5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one

C7H10N2O3S — CID 82397158

IUPAC5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(O)c1C1CSCCN1
InChIInChI=1S/C7H10N2O3S/c10-6-5(7(11)12-9-6)4-3-13-2-1-8-4/h4,8,11H,1-3H2,(H,9,10)
InChIKeyRIDWNSYEASNJBQ-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.05
Rot. Bonds1

About 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one

5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one (PubChem CID 82397158) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one
PubChem CID82397158
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(O)c1C1CSCCN1
InChIInChI=1S/C7H10N2O3S/c10-6-5(7(11)12-9-6)4-3-13-2-1-8-4/h4,8,11H,1-3H2,(H,9,10)
InChIKeyRIDWNSYEASNJBQ-UHFFFAOYSA-N
XLogP0.05
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
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(3S)-3-pyridin-3-ylthiomorpholine
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one?
The IUPAC name of 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one (CID 82397158) is 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one.
What is the SMILES notation for 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one?
The canonical SMILES for 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one is O=c1[nH]oc(O)c1C1CSCCN1.
What is the InChIKey of 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one?
The InChIKey is RIDWNSYEASNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-6-5(7(11)12-9-6)4-3-13-2-1-8-4/h4,8,11H,1-3H2,(H,9,10).
What are the key properties of 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one?
5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one has a molecular weight of 202.23 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-thiomorpholin-3-yl-1,2-oxazol-3-one is sourced from PubChem (CID 82397158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).