4-methylsulfonylthiomorpholine

C5H11NO2S2 — CID 11309885

IUPAC4-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C5H11NO2S2/c1-10(7,8)6-2-4-9-5-3-6/h2-5H2,1H3
InChIKeyUXYZUTMHAJRMKG-UHFFFAOYSA-N
MW181.28 g/mol
LogP-0.01
Rot. Bonds1

About 4-methylsulfonylthiomorpholine

4-methylsulfonylthiomorpholine (PubChem CID 11309885) has the molecular formula C5H11NO2S2 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-methylsulfonylthiomorpholine
PubChem CID11309885
Molecular FormulaC5H11NO2S2
Molecular Weight181.28 g/mol
Exact Mass181.02
IUPAC Name4-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C5H11NO2S2/c1-10(7,8)6-2-4-9-5-3-6/h2-5H2,1H3
InChIKeyUXYZUTMHAJRMKG-UHFFFAOYSA-N
XLogP-0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylthiomorpholine?
The IUPAC name of 4-methylsulfonylthiomorpholine (CID 11309885) is 4-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-methylsulfonylthiomorpholine?
The canonical SMILES for 4-methylsulfonylthiomorpholine is CS(=O)(=O)N1CCSCC1.
What is the InChIKey of 4-methylsulfonylthiomorpholine?
The InChIKey is UXYZUTMHAJRMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S2/c1-10(7,8)6-2-4-9-5-3-6/h2-5H2,1H3.
What are the key properties of 4-methylsulfonylthiomorpholine?
4-methylsulfonylthiomorpholine has a molecular weight of 181.28 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylthiomorpholine is sourced from PubChem (CID 11309885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).