N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide

C13H20N2O3S — CID 65421567

IUPACN-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)C2CCNC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-15(19(16,17)13-7-8-14-9-13)10-11-3-5-12(18-2)6-4-11/h3-6,13-14H,7-10H2,1-2H3
InChIKeyIWDUOHBSKCTFFW-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.82
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide

N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 65421567) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID65421567
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)C2CCNC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-15(19(16,17)13-7-8-14-9-13)10-11-3-5-12(18-2)6-4-11/h3-6,13-14H,7-10H2,1-2H3
InChIKeyIWDUOHBSKCTFFW-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

N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 65421369
N-(2-methoxyethyl)-N-methylpyrrolidine-3-sulfonamide
CID 65421575
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide
CID 61029723
N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine
CID 114628355
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
CID 54987021
N-[(4-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 63104350
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995
4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine
CID 82181339

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide (CID 65421567) is N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide is COc1ccc(CN(C)S(=O)(=O)C2CCNC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is IWDUOHBSKCTFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-15(19(16,17)13-7-8-14-9-13)10-11-3-5-12(18-2)6-4-11/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide 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 N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 65421567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).