methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate

C11H17N3O5S — CID 79472731

IUPACmethyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
SMILESCCn1cnc(S(=O)(=O)N2CCOC(C(=O)OC)C2)c1
InChIInChI=1S/C11H17N3O5S/c1-3-13-7-10(12-8-13)20(16,17)14-4-5-19-9(6-14)11(15)18-2/h7-9H,3-6H2,1-2H3
InChIKeyFGCLCPZWLLCPOI-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.53
Rot. Bonds4

About methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate

methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate (PubChem CID 79472731) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
PubChem CID79472731
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Namemethyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
SMILESCCn1cnc(S(=O)(=O)N2CCOC(C(=O)OC)C2)c1
InChIInChI=1S/C11H17N3O5S/c1-3-13-7-10(12-8-13)20(16,17)14-4-5-19-9(6-14)11(15)18-2/h7-9H,3-6H2,1-2H3
InChIKeyFGCLCPZWLLCPOI-UHFFFAOYSA-N
XLogP-0.53
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
CID 79372670
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
methyl 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
CID 115536263
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 171059500
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007837
methyl 4-(3,5-dimethylphenyl)sulfonylmorpholine-2-carboxylate
CID 115536259
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917728
methyl 4-butylsulfonylmorpholine-2-carboxylate
CID 78927085
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 79369875
1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959743

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate (CID 79472731) is methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate is CCn1cnc(S(=O)(=O)N2CCOC(C(=O)OC)C2)c1.
What is the InChIKey of methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate?
The InChIKey is FGCLCPZWLLCPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-3-13-7-10(12-8-13)20(16,17)14-4-5-19-9(6-14)11(15)18-2/h7-9H,3-6H2,1-2H3.
What are the key properties of methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate?
methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate has a molecular weight of 303.34 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate is sourced from PubChem (CID 79472731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).