6-methylsulfanylmorpholin-3-one

C5H9NO2S — CID 130440325

IUPAC6-methylsulfanylmorpholin-3-one
SMILESCSC1CNC(=O)CO1
InChIInChI=1S/C5H9NO2S/c1-9-5-2-6-4(7)3-8-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyVQJRZRZIPLXJDS-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.18
Rot. Bonds1

About 6-methylsulfanylmorpholin-3-one

6-methylsulfanylmorpholin-3-one (PubChem CID 130440325) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 6-methylsulfanylmorpholin-3-one.

Molecular Properties

Compound Name6-methylsulfanylmorpholin-3-one
PubChem CID130440325
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name6-methylsulfanylmorpholin-3-one
SMILESCSC1CNC(=O)CO1
InChIInChI=1S/C5H9NO2S/c1-9-5-2-6-4(7)3-8-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyVQJRZRZIPLXJDS-UHFFFAOYSA-N
XLogP-0.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylmorpholin-3-one?
The IUPAC name of 6-methylsulfanylmorpholin-3-one (CID 130440325) is 6-methylsulfanylmorpholin-3-one.
What is the SMILES notation for 6-methylsulfanylmorpholin-3-one?
The canonical SMILES for 6-methylsulfanylmorpholin-3-one is CSC1CNC(=O)CO1.
What is the InChIKey of 6-methylsulfanylmorpholin-3-one?
The InChIKey is VQJRZRZIPLXJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-9-5-2-6-4(7)3-8-5/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of 6-methylsulfanylmorpholin-3-one?
6-methylsulfanylmorpholin-3-one has a molecular weight of 147.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylmorpholin-3-one is sourced from PubChem (CID 130440325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).