methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate

C11H16N2O5S — CID 43665942

IUPACmethyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H16N2O5S/c1-17-9-7-8(12)3-4-10(9)19(15,16)13-6-5-11(14)18-2/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyPPSHGYFMEGXJRJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.12
Rot. Bonds6

About methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate

methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 43665942) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
PubChem CID43665942
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Namemethyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H16N2O5S/c1-17-9-7-8(12)3-4-10(9)19(15,16)13-6-5-11(14)18-2/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyPPSHGYFMEGXJRJ-UHFFFAOYSA-N
XLogP0.12
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
CID 43566769
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
methyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 43665916
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate (CID 43665942) is methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is PPSHGYFMEGXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-17-9-7-8(12)3-4-10(9)19(15,16)13-6-5-11(14)18-2/h3-4,7,13H,5-6,12H2,1-2H3.
What are the key properties of methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate?
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 288.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 43665942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).