4-(1-methylimidazol-4-yl)sulfonylthiomorpholine

C8H13N3O2S2 — CID 15100260

IUPAC4-(1-methylimidazol-4-yl)sulfonylthiomorpholine
SMILESCn1cnc(S(=O)(=O)N2CCSCC2)c1
InChIInChI=1S/C8H13N3O2S2/c1-10-6-8(9-7-10)15(12,13)11-2-4-14-5-3-11/h6-7H,2-5H2,1H3
InChIKeyIOUBHURKZMYKEZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.16
Rot. Bonds2

About 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine

4-(1-methylimidazol-4-yl)sulfonylthiomorpholine (PubChem CID 15100260) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(1-methylimidazol-4-yl)sulfonylthiomorpholine
PubChem CID15100260
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name4-(1-methylimidazol-4-yl)sulfonylthiomorpholine
SMILESCn1cnc(S(=O)(=O)N2CCSCC2)c1
InChIInChI=1S/C8H13N3O2S2/c1-10-6-8(9-7-10)15(12,13)11-2-4-14-5-3-11/h6-7H,2-5H2,1H3
InChIKeyIOUBHURKZMYKEZ-UHFFFAOYSA-N
XLogP0.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine?
The IUPAC name of 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine (CID 15100260) is 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine?
The canonical SMILES for 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine is Cn1cnc(S(=O)(=O)N2CCSCC2)c1.
What is the InChIKey of 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine?
The InChIKey is IOUBHURKZMYKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-10-6-8(9-7-10)15(12,13)11-2-4-14-5-3-11/h6-7H,2-5H2,1H3.
What are the key properties of 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine?
4-(1-methylimidazol-4-yl)sulfonylthiomorpholine has a molecular weight of 247.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-4-yl)sulfonylthiomorpholine is sourced from PubChem (CID 15100260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).