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

C8H13NO3S — CID 57084892

IUPAC4-(4-hydroxybutanoyl)thiomorpholin-3-one
SMILESO=C(CCCO)N1CCSCC1=O
InChIInChI=1S/C8H13NO3S/c10-4-1-2-7(11)9-3-5-13-6-8(9)12/h10H,1-6H2
InChIKeyQDKURYXQVJDYPA-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.14
Rot. Bonds3

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

4-(4-hydroxybutanoyl)thiomorpholin-3-one (PubChem CID 57084892) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 4-(4-hydroxybutanoyl)thiomorpholin-3-one.

Molecular Properties

Compound Name4-(4-hydroxybutanoyl)thiomorpholin-3-one
PubChem CID57084892
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name4-(4-hydroxybutanoyl)thiomorpholin-3-one
SMILESO=C(CCCO)N1CCSCC1=O
InChIInChI=1S/C8H13NO3S/c10-4-1-2-7(11)9-3-5-13-6-8(9)12/h10H,1-6H2
InChIKeyQDKURYXQVJDYPA-UHFFFAOYSA-N
XLogP-0.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(4-hydroxybutanoyl)thiomorpholin-3-one?
The IUPAC name of 4-(4-hydroxybutanoyl)thiomorpholin-3-one (CID 57084892) is 4-(4-hydroxybutanoyl)thiomorpholin-3-one.
What is the SMILES notation for 4-(4-hydroxybutanoyl)thiomorpholin-3-one?
The canonical SMILES for 4-(4-hydroxybutanoyl)thiomorpholin-3-one is O=C(CCCO)N1CCSCC1=O.
What is the InChIKey of 4-(4-hydroxybutanoyl)thiomorpholin-3-one?
The InChIKey is QDKURYXQVJDYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c10-4-1-2-7(11)9-3-5-13-6-8(9)12/h10H,1-6H2.
What are the key properties of 4-(4-hydroxybutanoyl)thiomorpholin-3-one?
4-(4-hydroxybutanoyl)thiomorpholin-3-one has a molecular weight of 203.26 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutanoyl)thiomorpholin-3-one is sourced from PubChem (CID 57084892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).