4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine

C9H15N3O3S — CID 62492168

IUPAC4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
SMILESCc1nc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C9H15N3O3S/c1-8-10-9(7-11(8)2)16(13,14)12-3-5-15-6-4-12/h7H,3-6H2,1-2H3
InChIKeyXNSYNVHEFMZXEP-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.25
Rot. Bonds2

About 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine

4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine (PubChem CID 62492168) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
PubChem CID62492168
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
SMILESCc1nc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C9H15N3O3S/c1-8-10-9(7-11(8)2)16(13,14)12-3-5-15-6-4-12/h7H,3-6H2,1-2H3
InChIKeyXNSYNVHEFMZXEP-UHFFFAOYSA-N
XLogP-0.25
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine?
The IUPAC name of 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine (CID 62492168) is 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine is Cc1nc(S(=O)(=O)N2CCOCC2)cn1C.
What is the InChIKey of 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine?
The InChIKey is XNSYNVHEFMZXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-8-10-9(7-11(8)2)16(13,14)12-3-5-15-6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine?
4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine has a molecular weight of 245.30 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 62492168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).