2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one

C11H14N2O3S — CID 115275101

IUPAC2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H14N2O3S/c1-11(2)9(14)6-8-13(11)17(15,16)10-5-3-4-7-12-10/h3-5,7H,6,8H2,1-2H3
InChIKeyMLAKKCXZELRXGF-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.82
Rot. Bonds2

About 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one

2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one (PubChem CID 115275101) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one
PubChem CID115275101
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1S(=O)(=O)c1ccccn1
InChIInChI=1S/C11H14N2O3S/c1-11(2)9(14)6-8-13(11)17(15,16)10-5-3-4-7-12-10/h3-5,7H,6,8H2,1-2H3
InChIKeyMLAKKCXZELRXGF-UHFFFAOYSA-N
XLogP0.82
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one?
The IUPAC name of 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one (CID 115275101) is 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one.
What is the SMILES notation for 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one?
The canonical SMILES for 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one is CC1(C)C(=O)CCN1S(=O)(=O)c1ccccn1.
What is the InChIKey of 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one?
The InChIKey is MLAKKCXZELRXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-11(2)9(14)6-8-13(11)17(15,16)10-5-3-4-7-12-10/h3-5,7H,6,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one?
2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one has a molecular weight of 254.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one is sourced from PubChem (CID 115275101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).