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

C11H21N3O4S — CID 107487947

IUPACpropan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H21N3O4S/c1-9(2)18-11(15)14-19(16,17)13-8-5-10-3-6-12-7-4-10/h3,9,12-13H,4-8H2,1-2H3,(H,14,15)
InChIKeyAJNXZULBAJECKW-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.27
Rot. Bonds6

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

propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate (PubChem CID 107487947) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
PubChem CID107487947
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Namepropan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H21N3O4S/c1-9(2)18-11(15)14-19(16,17)13-8-5-10-3-6-12-7-4-10/h3,9,12-13H,4-8H2,1-2H3,(H,14,15)
InChIKeyAJNXZULBAJECKW-UHFFFAOYSA-N
XLogP0.27
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.27
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 propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate (CID 107487947) is propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCCC1=CCNCC1.
What is the InChIKey of propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate?
The InChIKey is AJNXZULBAJECKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-9(2)18-11(15)14-19(16,17)13-8-5-10-3-6-12-7-4-10/h3,9,12-13H,4-8H2,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate?
propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate has a molecular weight of 291.37 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 107487947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).