4-(2,3-dihydroxypropyl)thiomorpholin-3-one

C7H13NO3S — CID 71319107

IUPAC4-(2,3-dihydroxypropyl)thiomorpholin-3-one
SMILESO=C1CSCCN1CC(O)CO
InChIInChI=1S/C7H13NO3S/c9-4-6(10)3-8-1-2-12-5-7(8)11/h6,9-10H,1-5H2
InChIKeyCWJYPRCEQJNKJK-UHFFFAOYSA-N
MW191.25 g/mol
LogP-1.09
Rot. Bonds3

About 4-(2,3-dihydroxypropyl)thiomorpholin-3-one

4-(2,3-dihydroxypropyl)thiomorpholin-3-one (PubChem CID 71319107) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropyl)thiomorpholin-3-one.

Molecular Properties

Compound Name4-(2,3-dihydroxypropyl)thiomorpholin-3-one
PubChem CID71319107
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name4-(2,3-dihydroxypropyl)thiomorpholin-3-one
SMILESO=C1CSCCN1CC(O)CO
InChIInChI=1S/C7H13NO3S/c9-4-6(10)3-8-1-2-12-5-7(8)11/h6,9-10H,1-5H2
InChIKeyCWJYPRCEQJNKJK-UHFFFAOYSA-N
XLogP-1.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropyl)thiomorpholin-3-one?
The IUPAC name of 4-(2,3-dihydroxypropyl)thiomorpholin-3-one (CID 71319107) is 4-(2,3-dihydroxypropyl)thiomorpholin-3-one.
What is the SMILES notation for 4-(2,3-dihydroxypropyl)thiomorpholin-3-one?
The canonical SMILES for 4-(2,3-dihydroxypropyl)thiomorpholin-3-one is O=C1CSCCN1CC(O)CO.
What is the InChIKey of 4-(2,3-dihydroxypropyl)thiomorpholin-3-one?
The InChIKey is CWJYPRCEQJNKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c9-4-6(10)3-8-1-2-12-5-7(8)11/h6,9-10H,1-5H2.
What are the key properties of 4-(2,3-dihydroxypropyl)thiomorpholin-3-one?
4-(2,3-dihydroxypropyl)thiomorpholin-3-one has a molecular weight of 191.25 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropyl)thiomorpholin-3-one is sourced from PubChem (CID 71319107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).