methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate

C8H15N3O4S — CID 114694270

IUPACmethyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCC1=CCNCC1
InChIInChI=1S/C8H15N3O4S/c1-15-8(12)11-16(13,14)10-6-7-2-4-9-5-3-7/h2,9-10H,3-6H2,1H3,(H,11,12)
InChIKeyAAGSGDJJIYPODN-UHFFFAOYSA-N
MW249.29 g/mol
LogP-0.90
Rot. Bonds4

About methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate

methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate (PubChem CID 114694270) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
PubChem CID114694270
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC Namemethyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCC1=CCNCC1
InChIInChI=1S/C8H15N3O4S/c1-15-8(12)11-16(13,14)10-6-7-2-4-9-5-3-7/h2,9-10H,3-6H2,1H3,(H,11,12)
InChIKeyAAGSGDJJIYPODN-UHFFFAOYSA-N
XLogP-0.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
CID 107487944
propan-2-yl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
CID 107487947
ethyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]carbamate
CID 107488083
propan-2-yl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
CID 113618320
methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)carbamate
CID 114694089
ethyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
CID 114694227
Methyl 3-[methyl(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)amino]propanoate
CID 120721543

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate?
The IUPAC name of methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate (CID 114694270) is methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCC1=CCNCC1.
What is the InChIKey of methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate?
The InChIKey is AAGSGDJJIYPODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-15-8(12)11-16(13,14)10-6-7-2-4-9-5-3-7/h2,9-10H,3-6H2,1H3,(H,11,12).
What are the key properties of methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate?
methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate has a molecular weight of 249.29 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate is sourced from PubChem (CID 114694270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).