1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide

C13H20N2O3S — CID 119978714

IUPAC1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C13H20N2O3S/c1-15(12-6-7-14-9-12)19(16,17)10-11-4-3-5-13(8-11)18-2/h3-5,8,12,14H,6-7,9-10H2,1-2H3
InChIKeyFBCNLJOYHAFPHL-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.82
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide

1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 119978714) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
PubChem CID119978714
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C13H20N2O3S/c1-15(12-6-7-14-9-12)19(16,17)10-11-4-3-5-13(8-11)18-2/h3-5,8,12,14H,6-7,9-10H2,1-2H3
InChIKeyFBCNLJOYHAFPHL-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978713
1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993734
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
1-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837751
1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978998
2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298346
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide (CID 119978714) is 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide is COc1cccc(CS(=O)(=O)N(C)C2CCNC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is FBCNLJOYHAFPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-15(12-6-7-14-9-12)19(16,17)10-11-4-3-5-13(8-11)18-2/h3-5,8,12,14H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide?
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide is sourced from PubChem (CID 119978714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).