methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate

C10H15N3O5S — CID 20969636

IUPACmethyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H15N3O5S/c1-17-10(14)7-12-6-9(11-8-12)19(15,16)13-2-4-18-5-3-13/h6,8H,2-5,7H2,1H3
InChIKeyQHAOHJLBYPYWRZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.92
Rot. Bonds4

About methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate

methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate (PubChem CID 20969636) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate
PubChem CID20969636
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Namemethyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H15N3O5S/c1-17-10(14)7-12-6-9(11-8-12)19(15,16)13-2-4-18-5-3-13/h6,8H,2-5,7H2,1H3
InChIKeyQHAOHJLBYPYWRZ-UHFFFAOYSA-N
XLogP-0.92
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate (CID 20969636) is methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate is COC(=O)Cn1cnc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate?
The InChIKey is QHAOHJLBYPYWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-17-10(14)7-12-6-9(11-8-12)19(15,16)13-2-4-18-5-3-13/h6,8H,2-5,7H2,1H3.
What are the key properties of methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate?
methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate has a molecular weight of 289.31 g/mol, XLogP of -0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetate is sourced from PubChem (CID 20969636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).