6-methylidenethiomorpholin-3-one

C5H7NOS — CID 13474378

IUPAC6-methylidenethiomorpholin-3-one
SMILESC=C1CNC(=O)CS1
InChIInChI=1S/C5H7NOS/c1-4-2-6-5(7)3-8-4/h1-3H2,(H,6,7)
InChIKeyCWTHKQHJNRZSJZ-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.36
Rot. Bonds

About 6-methylidenethiomorpholin-3-one

6-methylidenethiomorpholin-3-one (PubChem CID 13474378) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 6-methylidenethiomorpholin-3-one.

Molecular Properties

Compound Name6-methylidenethiomorpholin-3-one
PubChem CID13474378
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name6-methylidenethiomorpholin-3-one
SMILESC=C1CNC(=O)CS1
InChIInChI=1S/C5H7NOS/c1-4-2-6-5(7)3-8-4/h1-3H2,(H,6,7)
InChIKeyCWTHKQHJNRZSJZ-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidenethiomorpholin-3-one?
The IUPAC name of 6-methylidenethiomorpholin-3-one (CID 13474378) is 6-methylidenethiomorpholin-3-one.
What is the SMILES notation for 6-methylidenethiomorpholin-3-one?
The canonical SMILES for 6-methylidenethiomorpholin-3-one is C=C1CNC(=O)CS1.
What is the InChIKey of 6-methylidenethiomorpholin-3-one?
The InChIKey is CWTHKQHJNRZSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-4-2-6-5(7)3-8-4/h1-3H2,(H,6,7).
What are the key properties of 6-methylidenethiomorpholin-3-one?
6-methylidenethiomorpholin-3-one has a molecular weight of 129.18 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenethiomorpholin-3-one is sourced from PubChem (CID 13474378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).