4-(oxiran-2-ylmethyl)thiomorpholin-3-one

C7H11NO2S — CID 71319105

IUPAC4-(oxiran-2-ylmethyl)thiomorpholin-3-one
SMILESO=C1CSCCN1CC1CO1
InChIInChI=1S/C7H11NO2S/c9-7-5-11-2-1-8(7)3-6-4-10-6/h6H,1-5H2
InChIKeyGIWMPFTUYGNYMW-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.04
Rot. Bonds2

About 4-(oxiran-2-ylmethyl)thiomorpholin-3-one

4-(oxiran-2-ylmethyl)thiomorpholin-3-one (PubChem CID 71319105) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethyl)thiomorpholin-3-one.

Molecular Properties

Compound Name4-(oxiran-2-ylmethyl)thiomorpholin-3-one
PubChem CID71319105
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name4-(oxiran-2-ylmethyl)thiomorpholin-3-one
SMILESO=C1CSCCN1CC1CO1
InChIInChI=1S/C7H11NO2S/c9-7-5-11-2-1-8(7)3-6-4-10-6/h6H,1-5H2
InChIKeyGIWMPFTUYGNYMW-UHFFFAOYSA-N
XLogP-0.04
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethyl)thiomorpholin-3-one?
The IUPAC name of 4-(oxiran-2-ylmethyl)thiomorpholin-3-one (CID 71319105) is 4-(oxiran-2-ylmethyl)thiomorpholin-3-one.
What is the SMILES notation for 4-(oxiran-2-ylmethyl)thiomorpholin-3-one?
The canonical SMILES for 4-(oxiran-2-ylmethyl)thiomorpholin-3-one is O=C1CSCCN1CC1CO1.
What is the InChIKey of 4-(oxiran-2-ylmethyl)thiomorpholin-3-one?
The InChIKey is GIWMPFTUYGNYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-7-5-11-2-1-8(7)3-6-4-10-6/h6H,1-5H2.
What are the key properties of 4-(oxiran-2-ylmethyl)thiomorpholin-3-one?
4-(oxiran-2-ylmethyl)thiomorpholin-3-one has a molecular weight of 173.24 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethyl)thiomorpholin-3-one is sourced from PubChem (CID 71319105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).