N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide

C13H18N2O3S — CID 110736605

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C13H18N2O3S/c1-10-5-3-4-6-11(10)9-19(17,18)14-12-7-13(16)15(2)8-12/h3-6,12,14H,7-9H2,1-2H3
InChIKeyMDOMXIQSQBEBEF-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.65
Rot. Bonds4

About N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110736605) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID110736605
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C13H18N2O3S/c1-10-5-3-4-6-11(10)9-19(17,18)14-12-7-13(16)15(2)8-12/h3-6,12,14H,7-9H2,1-2H3
InChIKeyMDOMXIQSQBEBEF-UHFFFAOYSA-N
XLogP0.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide (CID 110736605) is N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NC1CC(=O)N(C)C1.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is MDOMXIQSQBEBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-5-3-4-6-11(10)9-19(17,18)14-12-7-13(16)15(2)8-12/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110736605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).