2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride

C9H19ClN2O3S — CID 120721104

IUPAC2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride
SMILESCOCCS(=O)(=O)NCC1=CCNCC1.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-14-6-7-15(12,13)11-8-9-2-4-10-5-3-9;/h2,10-11H,3-8H2,1H3;1H
InChIKeyFVDLIEWWJIZDPX-UHFFFAOYSA-N
MW270.78 g/mol
LogP-0.11
Rot. Bonds6

About 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride

2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride (PubChem CID 120721104) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride
PubChem CID120721104
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC Name2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride
SMILESCOCCS(=O)(=O)NCC1=CCNCC1.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-14-6-7-15(12,13)11-8-9-2-4-10-5-3-9;/h2,10-11H,3-8H2,1H3;1H
InChIKeyFVDLIEWWJIZDPX-UHFFFAOYSA-N
XLogP-0.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride 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

1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721422
1-(4-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721376
ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate
CID 114694281
methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
CID 114694270
3-(methoxymethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721516
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 120721128
1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721822
1,1,1-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide
CID 114694187
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 120721467
5-bromo-2,4-dimethoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721839
4-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721590
4-(4-methoxyphenoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721832

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride?
The IUPAC name of 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride (CID 120721104) is 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride is COCCS(=O)(=O)NCC1=CCNCC1.Cl.
What is the InChIKey of 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride?
The InChIKey is FVDLIEWWJIZDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c1-14-6-7-15(12,13)11-8-9-2-4-10-5-3-9;/h2,10-11H,3-8H2,1H3;1H.
What are the key properties of 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride?
2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 120721104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).