ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate

C10H19N3O4S — CID 107488083

IUPACethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCC1=CCNCC1
InChIInChI=1S/C10H19N3O4S/c1-2-17-10(14)13-18(15,16)12-8-5-9-3-6-11-7-4-9/h3,11-12H,2,4-8H2,1H3,(H,13,14)
InChIKeyQAVKHJPDOUPUML-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.12
Rot. Bonds6

About ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate

ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate (PubChem CID 107488083) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
PubChem CID107488083
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Nameethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCC1=CCNCC1
InChIInChI=1S/C10H19N3O4S/c1-2-17-10(14)13-18(15,16)12-8-5-9-3-6-11-7-4-9/h3,11-12H,2,4-8H2,1H3,(H,13,14)
InChIKeyQAVKHJPDOUPUML-UHFFFAOYSA-N
XLogP-0.12
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate (CID 107488083) is ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCCC1=CCNCC1.
What is the InChIKey of ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate?
The InChIKey is QAVKHJPDOUPUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-2-17-10(14)13-18(15,16)12-8-5-9-3-6-11-7-4-9/h3,11-12H,2,4-8H2,1H3,(H,13,14).
What are the key properties of ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate?
ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate has a molecular weight of 277.35 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 107488083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).