[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate

C14H20N2O7S — CID 55643911

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
SMILESCC1CN(C(=O)C(C)OC(=O)c2ccc(S(N)(=O)=O)o2)CC(C)O1
InChIInChI=1S/C14H20N2O7S/c1-8-6-16(7-9(2)21-8)13(17)10(3)22-14(18)11-4-5-12(23-11)24(15,19)20/h4-5,8-10H,6-7H2,1-3H3,(H2,15,19,20)
InChIKeyRDANHTNRTZIRKZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.11
Rot. Bonds4

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643911) has the molecular formula C14H20N2O7S and a molecular weight of 360.39 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643911
Molecular FormulaC14H20N2O7S
Molecular Weight360.39 g/mol
Exact Mass360.10
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
SMILESCC1CN(C(=O)C(C)OC(=O)c2ccc(S(N)(=O)=O)o2)CC(C)O1
InChIInChI=1S/C14H20N2O7S/c1-8-6-16(7-9(2)21-8)13(17)10(3)22-14(18)11-4-5-12(23-11)24(15,19)20/h4-5,8-10H,6-7H2,1-3H3,(H2,15,19,20)
InChIKeyRDANHTNRTZIRKZ-UHFFFAOYSA-N
XLogP0.11
TPSA129.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate with MolForge

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Related Compounds

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate
CID 55322802
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 55319792
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
CID 51704521
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-bromo-2,5-dimethylfuran-3-carboxylate
CID 97001576
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 55316324
[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-bromo-2,5-dimethylfuran-3-carboxylate
CID 97001573
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55475277
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311623
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate (CID 55643911) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate is CC1CN(C(=O)C(C)OC(=O)c2ccc(S(N)(=O)=O)o2)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is RDANHTNRTZIRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7S/c1-8-6-16(7-9(2)21-8)13(17)10(3)22-14(18)11-4-5-12(23-11)24(15,19)20/h4-5,8-10H,6-7H2,1-3H3,(H2,15,19,20).
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).