3-methylsulfonylmorpholine

C5H11NO3S — CID 117037158

IUPAC3-methylsulfonylmorpholine
SMILESCS(=O)(=O)C1COCCN1
InChIInChI=1S/C5H11NO3S/c1-10(7,8)5-4-9-3-2-6-5/h5-6H,2-4H2,1H3
InChIKeyFSGFXZIABGBDRS-UHFFFAOYSA-N
MW165.21 g/mol
LogP-1.02
Rot. Bonds1

About 3-methylsulfonylmorpholine

3-methylsulfonylmorpholine (PubChem CID 117037158) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-methylsulfonylmorpholine.

Molecular Properties

Compound Name3-methylsulfonylmorpholine
PubChem CID117037158
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name3-methylsulfonylmorpholine
SMILESCS(=O)(=O)C1COCCN1
InChIInChI=1S/C5H11NO3S/c1-10(7,8)5-4-9-3-2-6-5/h5-6H,2-4H2,1H3
InChIKeyFSGFXZIABGBDRS-UHFFFAOYSA-N
XLogP-1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylmorpholine?
The IUPAC name of 3-methylsulfonylmorpholine (CID 117037158) is 3-methylsulfonylmorpholine.
What is the SMILES notation for 3-methylsulfonylmorpholine?
The canonical SMILES for 3-methylsulfonylmorpholine is CS(=O)(=O)C1COCCN1.
What is the InChIKey of 3-methylsulfonylmorpholine?
The InChIKey is FSGFXZIABGBDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-10(7,8)5-4-9-3-2-6-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-methylsulfonylmorpholine?
3-methylsulfonylmorpholine has a molecular weight of 165.21 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylmorpholine is sourced from PubChem (CID 117037158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).