1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride

C14H21ClN2O3S — CID 120721422

IUPAC1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
SMILESCOc1cccc(CS(=O)(=O)NCC2=CCNCC2)c1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-19-14-4-2-3-13(9-14)11-20(17,18)16-10-12-5-7-15-8-6-12;/h2-5,9,15-16H,6-8,10-11H2,1H3;1H
InChIKeyQEZHVKZZGMCHKJ-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.46
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride

1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 120721422) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID120721422
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
SMILESCOc1cccc(CS(=O)(=O)NCC2=CCNCC2)c1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-19-14-4-2-3-13(9-14)11-20(17,18)16-10-12-5-7-15-8-6-12;/h2-5,9,15-16H,6-8,10-11H2,1H3;1H
InChIKeyQEZHVKZZGMCHKJ-UHFFFAOYSA-N
XLogP1.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721822
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
1-(4-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721376
3-(methoxymethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721516
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
4-(4-methoxyphenoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721832
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide;hydrochloride
CID 120717565
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 120721583
ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate
CID 114694281

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride (CID 120721422) is 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride is COc1cccc(CS(=O)(=O)NCC2=CCNCC2)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is QEZHVKZZGMCHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-19-14-4-2-3-13(9-14)11-20(17,18)16-10-12-5-7-15-8-6-12;/h2-5,9,15-16H,6-8,10-11H2,1H3;1H.
What are the key properties of 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride?
1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120721422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).