4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine

C8H12ClN3O3S — CID 35290915

IUPAC4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine
SMILESCn1cnc(S(=O)(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C8H12ClN3O3S/c1-11-6-10-8(7(11)9)16(13,14)12-2-4-15-5-3-12/h6H,2-5H2,1H3
InChIKeyXVNIFPBCSHDUQA-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.09
Rot. Bonds2

About 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine

4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine (PubChem CID 35290915) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine
PubChem CID35290915
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine
SMILESCn1cnc(S(=O)(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C8H12ClN3O3S/c1-11-6-10-8(7(11)9)16(13,14)12-2-4-15-5-3-12/h6H,2-5H2,1H3
InChIKeyXVNIFPBCSHDUQA-UHFFFAOYSA-N
XLogP0.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine?
The IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine (CID 35290915) is 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine is Cn1cnc(S(=O)(=O)N2CCOCC2)c1Cl.
What is the InChIKey of 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine?
The InChIKey is XVNIFPBCSHDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-11-6-10-8(7(11)9)16(13,14)12-2-4-15-5-3-12/h6H,2-5H2,1H3.
What are the key properties of 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine?
4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine has a molecular weight of 265.72 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylimidazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 35290915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).