4-(3-methylimidazol-4-yl)sulfonylmorpholine

C8H13N3O3S — CID 11299206

IUPAC4-(3-methylimidazol-4-yl)sulfonylmorpholine
SMILESCn1cncc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H13N3O3S/c1-10-7-9-6-8(10)15(12,13)11-2-4-14-5-3-11/h6-7H,2-5H2,1H3
InChIKeyPTQDJGGZQBOTRE-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.56
Rot. Bonds2

About 4-(3-methylimidazol-4-yl)sulfonylmorpholine

4-(3-methylimidazol-4-yl)sulfonylmorpholine (PubChem CID 11299206) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)sulfonylmorpholine
PubChem CID11299206
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name4-(3-methylimidazol-4-yl)sulfonylmorpholine
SMILESCn1cncc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H13N3O3S/c1-10-7-9-6-8(10)15(12,13)11-2-4-14-5-3-11/h6-7H,2-5H2,1H3
InChIKeyPTQDJGGZQBOTRE-UHFFFAOYSA-N
XLogP-0.56
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)sulfonylmorpholine?
The IUPAC name of 4-(3-methylimidazol-4-yl)sulfonylmorpholine (CID 11299206) is 4-(3-methylimidazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 4-(3-methylimidazol-4-yl)sulfonylmorpholine is Cn1cncc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(3-methylimidazol-4-yl)sulfonylmorpholine?
The InChIKey is PTQDJGGZQBOTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-10-7-9-6-8(10)15(12,13)11-2-4-14-5-3-11/h6-7H,2-5H2,1H3.
What are the key properties of 4-(3-methylimidazol-4-yl)sulfonylmorpholine?
4-(3-methylimidazol-4-yl)sulfonylmorpholine has a molecular weight of 231.28 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 11299206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).