N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C15H22N2O3S — CID 846700

IUPACN-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCc1cccc(C)c1N(CC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-12-7-6-8-13(2)15(12)17(21(3,19)20)11-14(18)16-9-4-5-10-16/h6-8H,4-5,9-11H2,1-3H3
InChIKeyJSQFHLPWCJNBJM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.69
Rot. Bonds4

About N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 846700) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID846700
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCc1cccc(C)c1N(CC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-12-7-6-8-13(2)15(12)17(21(3,19)20)11-14(18)16-9-4-5-10-16/h6-8H,4-5,9-11H2,1-3H3
InChIKeyJSQFHLPWCJNBJM-UHFFFAOYSA-N
XLogP1.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 846700) is N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is Cc1cccc(C)c1N(CC(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is JSQFHLPWCJNBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-7-6-8-13(2)15(12)17(21(3,19)20)11-14(18)16-9-4-5-10-16/h6-8H,4-5,9-11H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 846700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).