N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide

C14H20N2O3S — CID 106150904

IUPACN,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(S(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C14H20N2O3S/c1-11-6-4-5-7-12(11)20(18,19)16-9-8-14(2,10-16)13(17)15-3/h4-7H,8-10H2,1-3H3,(H,15,17)
InChIKeyGLZICXYQYQLFCI-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.14
Rot. Bonds3

About N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide

N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide (PubChem CID 106150904) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
PubChem CID106150904
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(S(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C14H20N2O3S/c1-11-6-4-5-7-12(11)20(18,19)16-9-8-14(2,10-16)13(17)15-3/h4-7H,8-10H2,1-3H3,(H,15,17)
InChIKeyGLZICXYQYQLFCI-UHFFFAOYSA-N
XLogP1.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317548
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
CID 115304789
N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
CID 106321152
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
(3R)-1-(2-chlorophenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088198
(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088188
N,3-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 106319127
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607
1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317535
N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 50914407
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088208
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide (CID 106150904) is N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(S(=O)(=O)c2ccccc2C)C1.
What is the InChIKey of N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide?
The InChIKey is GLZICXYQYQLFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-6-4-5-7-12(11)20(18,19)16-9-8-14(2,10-16)13(17)15-3/h4-7H,8-10H2,1-3H3,(H,15,17).
What are the key properties of N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide?
N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106150904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).