4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride

C9H20ClN3O2S — CID 120721128

IUPAC4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCCN(C)S(=O)(=O)NCC1=CCNCC1.Cl
InChIInChI=1S/C9H19N3O2S.ClH/c1-3-12(2)15(13,14)11-8-9-4-6-10-7-5-9;/h4,10-11H,3,5-8H2,1-2H3;1H
InChIKeyXGQUGMBKHJAUCZ-UHFFFAOYSA-N
MW269.80 g/mol
LogP0.11
Rot. Bonds5

About 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride

4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 120721128) has the molecular formula C9H20ClN3O2S and a molecular weight of 269.80 g/mol. Its IUPAC name is 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID120721128
Molecular FormulaC9H20ClN3O2S
Molecular Weight269.80 g/mol
Exact Mass269.10
IUPAC Name4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCCN(C)S(=O)(=O)NCC1=CCNCC1.Cl
InChIInChI=1S/C9H19N3O2S.ClH/c1-3-12(2)15(13,14)11-8-9-4-6-10-7-5-9;/h4,10-11H,3,5-8H2,1-2H3;1H
InChIKeyXGQUGMBKHJAUCZ-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride (CID 120721128) is 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride is CCN(C)S(=O)(=O)NCC1=CCNCC1.Cl.
What is the InChIKey of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is XGQUGMBKHJAUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S.ClH/c1-3-12(2)15(13,14)11-8-9-4-6-10-7-5-9;/h4,10-11H,3,5-8H2,1-2H3;1H.
What are the key properties of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 120721128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).