4-ethylsulfonylthiomorpholine

C6H13NO2S2 — CID 61357198

IUPAC4-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C6H13NO2S2/c1-2-11(8,9)7-3-5-10-6-4-7/h2-6H2,1H3
InChIKeyGYNCJEFMWNSRAC-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.38
Rot. Bonds2

About 4-ethylsulfonylthiomorpholine

4-ethylsulfonylthiomorpholine (PubChem CID 61357198) has the molecular formula C6H13NO2S2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-ethylsulfonylthiomorpholine
PubChem CID61357198
Molecular FormulaC6H13NO2S2
Molecular Weight195.31 g/mol
Exact Mass195.04
IUPAC Name4-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C6H13NO2S2/c1-2-11(8,9)7-3-5-10-6-4-7/h2-6H2,1H3
InChIKeyGYNCJEFMWNSRAC-UHFFFAOYSA-N
XLogP0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonylthiomorpholine?
The IUPAC name of 4-ethylsulfonylthiomorpholine (CID 61357198) is 4-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-ethylsulfonylthiomorpholine is CCS(=O)(=O)N1CCSCC1.
What is the InChIKey of 4-ethylsulfonylthiomorpholine?
The InChIKey is GYNCJEFMWNSRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S2/c1-2-11(8,9)7-3-5-10-6-4-7/h2-6H2,1H3.
What are the key properties of 4-ethylsulfonylthiomorpholine?
4-ethylsulfonylthiomorpholine has a molecular weight of 195.31 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonylthiomorpholine is sourced from PubChem (CID 61357198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).