ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate

C13H19N3O4S — CID 114463228

IUPACethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C13H19N3O4S/c1-2-20-13(17)16-21(18,19)15-8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14-15H,2,7-9H2,1H3,(H,16,17)
InChIKeyGSWIWUCKORMAFZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.17
Rot. Bonds6

About ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate

ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate (PubChem CID 114463228) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate
PubChem CID114463228
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Nameethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C13H19N3O4S/c1-2-20-13(17)16-21(18,19)15-8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14-15H,2,7-9H2,1H3,(H,16,17)
InChIKeyGSWIWUCKORMAFZ-UHFFFAOYSA-N
XLogP1.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate (CID 114463228) is ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCCC1CNc2ccccc21.
What is the InChIKey of ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate?
The InChIKey is GSWIWUCKORMAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-2-20-13(17)16-21(18,19)15-8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,14-15H,2,7-9H2,1H3,(H,16,17).
What are the key properties of ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate?
ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate has a molecular weight of 313.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 114463228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).