methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate

C12H18N2O4S — CID 119982539

IUPACmethyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-13)14(2)19(16,17)11-6-4-10(5-7-11)12(15)18-3/h4-7,9H,8,13H2,1-3H3
InChIKeyDXUKRBYFDRMNQD-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.44
Rot. Bonds5

About methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate

methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate (PubChem CID 119982539) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate
PubChem CID119982539
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-13)14(2)19(16,17)11-6-4-10(5-7-11)12(15)18-3/h4-7,9H,8,13H2,1-3H3
InChIKeyDXUKRBYFDRMNQD-UHFFFAOYSA-N
XLogP0.44
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate 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

dimethyl 2-[1-aminopropan-2-yl(methyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 119982418
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]-3-chlorobenzoate
CID 119982722
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119982559
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801
N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119982357
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
methyl 3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoate
CID 61115645
methyl 4-[[(2S)-1-methoxy-1-oxopent-4-en-2-yl]-propan-2-ylsulfamoyl]benzoate
CID 59280277

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate (CID 119982539) is methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(C)C(C)CN)cc1.
What is the InChIKey of methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate?
The InChIKey is DXUKRBYFDRMNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(8-13)14(2)19(16,17)11-6-4-10(5-7-11)12(15)18-3/h4-7,9H,8,13H2,1-3H3.
What are the key properties of methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate?
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate has a molecular weight of 286.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 119982539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).