2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide

C14H22N2O3S — CID 136579692

IUPAC2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCOc1ccccc1CC1CCCN1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O3S/c1-15(2)20(17,18)16-10-6-8-13(16)11-12-7-4-5-9-14(12)19-3/h4-5,7,9,13H,6,8,10-11H2,1-3H3
InChIKeyWQPDWLLYQAQVRJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide

2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 136579692) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID136579692
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCOc1ccccc1CC1CCCN1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O3S/c1-15(2)20(17,18)16-10-6-8-13(16)11-12-7-4-5-9-14(12)19-3/h4-5,7,9,13H,6,8,10-11H2,1-3H3
InChIKeyWQPDWLLYQAQVRJ-UHFFFAOYSA-N
XLogP1.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 71935520
(2S)-2-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 97000881
N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95249606
1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 146134184
N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
CID 75448267
1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 132762136
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 155269120
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 136579692) is 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide is COc1ccccc1CC1CCCN1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is WQPDWLLYQAQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15(2)20(17,18)16-10-6-8-13(16)11-12-7-4-5-9-14(12)19-3/h4-5,7,9,13H,6,8,10-11H2,1-3H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide?
2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 136579692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).