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

C13H21ClN2O3S — CID 119978713

IUPAC1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCOc1cccc(CS(=O)(=O)N(C)C2CCNC2)c1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/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;1H
InChIKeyYBAZWUIIBDACKG-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.24
Rot. Bonds5

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

1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride (PubChem CID 119978713) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
PubChem CID119978713
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCOc1cccc(CS(=O)(=O)N(C)C2CCNC2)c1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/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;1H
InChIKeyYBAZWUIIBDACKG-UHFFFAOYSA-N
XLogP1.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
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3-[(3-methoxyphenyl)methyl]piperidin-4-amine
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1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
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N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
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N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
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(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
1-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837751
2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298346
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride (CID 119978713) is 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride is COc1cccc(CS(=O)(=O)N(C)C2CCNC2)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The InChIKey is YBAZWUIIBDACKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/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;1H.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.24, 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;hydrochloride is sourced from PubChem (CID 119978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).