4-(2-hydroxybutanoyl)thiomorpholin-3-one

C8H13NO3S — CID 19039690

IUPAC4-(2-hydroxybutanoyl)thiomorpholin-3-one
SMILESCCC(O)C(=O)N1CCSCC1=O
InChIInChI=1S/C8H13NO3S/c1-2-6(10)8(12)9-3-4-13-5-7(9)11/h6,10H,2-5H2,1H3
InChIKeyPWJNPLJTUROJPE-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.14
Rot. Bonds2

About 4-(2-hydroxybutanoyl)thiomorpholin-3-one

4-(2-hydroxybutanoyl)thiomorpholin-3-one (PubChem CID 19039690) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 4-(2-hydroxybutanoyl)thiomorpholin-3-one.

Molecular Properties

Compound Name4-(2-hydroxybutanoyl)thiomorpholin-3-one
PubChem CID19039690
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name4-(2-hydroxybutanoyl)thiomorpholin-3-one
SMILESCCC(O)C(=O)N1CCSCC1=O
InChIInChI=1S/C8H13NO3S/c1-2-6(10)8(12)9-3-4-13-5-7(9)11/h6,10H,2-5H2,1H3
InChIKeyPWJNPLJTUROJPE-UHFFFAOYSA-N
XLogP-0.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxybutanoyl)thiomorpholin-3-one?
The IUPAC name of 4-(2-hydroxybutanoyl)thiomorpholin-3-one (CID 19039690) is 4-(2-hydroxybutanoyl)thiomorpholin-3-one.
What is the SMILES notation for 4-(2-hydroxybutanoyl)thiomorpholin-3-one?
The canonical SMILES for 4-(2-hydroxybutanoyl)thiomorpholin-3-one is CCC(O)C(=O)N1CCSCC1=O.
What is the InChIKey of 4-(2-hydroxybutanoyl)thiomorpholin-3-one?
The InChIKey is PWJNPLJTUROJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-6(10)8(12)9-3-4-13-5-7(9)11/h6,10H,2-5H2,1H3.
What are the key properties of 4-(2-hydroxybutanoyl)thiomorpholin-3-one?
4-(2-hydroxybutanoyl)thiomorpholin-3-one has a molecular weight of 203.26 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxybutanoyl)thiomorpholin-3-one is sourced from PubChem (CID 19039690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).