methyl 2-[benzyl(methyl)sulfamoyl]propanoate

C12H17NO4S — CID 10038832

IUPACmethyl 2-[benzyl(methyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H17NO4S/c1-10(12(14)17-3)18(15,16)13(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyLPENBOXYGSCNKK-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.01
Rot. Bonds5

About methyl 2-[benzyl(methyl)sulfamoyl]propanoate

methyl 2-[benzyl(methyl)sulfamoyl]propanoate (PubChem CID 10038832) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 2-[benzyl(methyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[benzyl(methyl)sulfamoyl]propanoate
PubChem CID10038832
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Namemethyl 2-[benzyl(methyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H17NO4S/c1-10(12(14)17-3)18(15,16)13(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyLPENBOXYGSCNKK-UHFFFAOYSA-N
XLogP1.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(methyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[benzyl(methyl)sulfamoyl]propanoate (CID 10038832) is methyl 2-[benzyl(methyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[benzyl(methyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[benzyl(methyl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl(methyl)sulfamoyl]propanoate?
The InChIKey is LPENBOXYGSCNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-10(12(14)17-3)18(15,16)13(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of methyl 2-[benzyl(methyl)sulfamoyl]propanoate?
methyl 2-[benzyl(methyl)sulfamoyl]propanoate has a molecular weight of 271.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(methyl)sulfamoyl]propanoate is sourced from PubChem (CID 10038832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).