methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate

C12H18N2O5S — CID 107734048

IUPACmethyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O5S/c1-13(9-8-12(16)19-3)20(17,18)14(2)10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeySVDQDYCGRMGXQX-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.57
Rot. Bonds6

About methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate

methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate (PubChem CID 107734048) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate
PubChem CID107734048
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Namemethyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O5S/c1-13(9-8-12(16)19-3)20(17,18)14(2)10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeySVDQDYCGRMGXQX-UHFFFAOYSA-N
XLogP0.57
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methanesulfonamide, N-(4-hydroxyphenyl)-N-methyl-
CID 198964
4-Dimethylaminophenol oxalate (1:1)
CID 81104
3-[(2-Carboxyethyl)(4-hydroxyphenyl)amino]propanoic acid
CID 3324789
Dimethyl 3,3'-((3-hydroxyphenyl)azanediyl)dipropanoate
CID 14438473
N-(4-hydroxyphenyl)-N,N',N'-trimethylsulfamide
CID 686897
N-(4-hydroxyphenyl)-beta-alanine
CID 12814012
N,N-di(2-carboxyethyl)-p-anisidine
CID 15392998
4-(dimethylamino)phenyl N,N-dimethylsulfamate
CID 44622899
4-(Dimethylamino)phenol sulfate(1:1)
CID 235518
(2S)-N-(4-hydroxyphenyl)-N,2-dimethylpyrrolidine-1-sulfonamide
CID 124627114
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 3-(4-hydroxy-N-methylanilino)propanoate
CID 118215214
methyl N-(4-hydroxyphenyl)-N-methylcarbamate
CID 9812929

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate (CID 107734048) is methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate?
The InChIKey is SVDQDYCGRMGXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-13(9-8-12(16)19-3)20(17,18)14(2)10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3.
What are the key properties of methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate?
methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate has a molecular weight of 302.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate is sourced from PubChem (CID 107734048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).