methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate

C10H17N3O5S — CID 113251862

IUPACmethyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCc1ncc(C)o1
InChIInChI=1S/C10H17N3O5S/c1-8-6-11-9(18-8)7-12-19(15,16)13(2)5-4-10(14)17-3/h6,12H,4-5,7H2,1-3H3
InChIKeyDCNNYIMTUFIQAO-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.19
Rot. Bonds7

About methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate

methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate (PubChem CID 113251862) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
PubChem CID113251862
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Namemethyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCc1ncc(C)o1
InChIInChI=1S/C10H17N3O5S/c1-8-6-11-9(18-8)7-12-19(15,16)13(2)5-4-10(14)17-3/h6,12H,4-5,7H2,1-3H3
InChIKeyDCNNYIMTUFIQAO-UHFFFAOYSA-N
XLogP-0.19
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate
CID 104600365
methyl 3-[[4-(hydroxymethyl)phenyl]methylsulfamoyl-methylamino]propanoate
CID 107229626
methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate
CID 103744445
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate
CID 113433480
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]propanoate
CID 62062662
methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate
CID 107584640
methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate
CID 104693950
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 106377917
methyl 3-[(2-chloropyrimidin-5-yl)sulfonyl-methylamino]propanoate
CID 55002182
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate (CID 113251862) is methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCc1ncc(C)o1.
What is the InChIKey of methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate?
The InChIKey is DCNNYIMTUFIQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-8-6-11-9(18-8)7-12-19(15,16)13(2)5-4-10(14)17-3/h6,12H,4-5,7H2,1-3H3.
What are the key properties of methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate?
methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate has a molecular weight of 291.33 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate is sourced from PubChem (CID 113251862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).