ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate

C11H17N3O4S — CID 114461371

IUPACethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C11H17N3O4S/c1-3-18-11(15)14-19(16,17)13-10-6-9(7-12)5-4-8(10)2/h4-6,13H,3,7,12H2,1-2H3,(H,14,15)
InChIKeyMFESUQPKRCTAJU-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.86
Rot. Bonds5

About ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate

ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate (PubChem CID 114461371) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate
PubChem CID114461371
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C11H17N3O4S/c1-3-18-11(15)14-19(16,17)13-10-6-9(7-12)5-4-8(10)2/h4-6,13H,3,7,12H2,1-2H3,(H,14,15)
InChIKeyMFESUQPKRCTAJU-UHFFFAOYSA-N
XLogP0.86
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate (CID 114461371) is ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1cc(CN)ccc1C.
What is the InChIKey of ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate?
The InChIKey is MFESUQPKRCTAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-18-11(15)14-19(16,17)13-10-6-9(7-12)5-4-8(10)2/h4-6,13H,3,7,12H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate?
ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate has a molecular weight of 287.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate is sourced from PubChem (CID 114461371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).