methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate

C12H19N3O5S — CID 115536263

IUPACmethyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
SMILESCCn1cc(S(=O)(=O)N2CCOC(C(=O)OC)C2)nc1C
InChIInChI=1S/C12H19N3O5S/c1-4-14-8-11(13-9(14)2)21(17,18)15-5-6-20-10(7-15)12(16)19-3/h8,10H,4-7H2,1-3H3
InChIKeyCYUIVLRHHAKFAF-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.23
Rot. Bonds4

About methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate

methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate (PubChem CID 115536263) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
PubChem CID115536263
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Namemethyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
SMILESCCn1cc(S(=O)(=O)N2CCOC(C(=O)OC)C2)nc1C
InChIInChI=1S/C12H19N3O5S/c1-4-14-8-11(13-9(14)2)21(17,18)15-5-6-20-10(7-15)12(16)19-3/h8,10H,4-7H2,1-3H3
InChIKeyCYUIVLRHHAKFAF-UHFFFAOYSA-N
XLogP-0.23
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate (CID 115536263) is methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate is CCn1cc(S(=O)(=O)N2CCOC(C(=O)OC)C2)nc1C.
What is the InChIKey of methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate?
The InChIKey is CYUIVLRHHAKFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-4-14-8-11(13-9(14)2)21(17,18)15-5-6-20-10(7-15)12(16)19-3/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate?
methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate has a molecular weight of 317.37 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate is sourced from PubChem (CID 115536263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).