4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one

C15H21N3O4S — CID 110099097

IUPAC4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1c1cccc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N3O4S/c1-15(2)10-22-14(19)18(15)13-8-4-6-11(16-13)12-7-5-9-17(12)23(3,20)21/h4,6,8,12H,5,7,9-10H2,1-3H3
InChIKeyWJATVHGKBNDXCD-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.91
Rot. Bonds3

About 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 110099097) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID110099097
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1c1cccc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H21N3O4S/c1-15(2)10-22-14(19)18(15)13-8-4-6-11(16-13)12-7-5-9-17(12)23(3,20)21/h4,6,8,12H,5,7,9-10H2,1-3H3
InChIKeyWJATVHGKBNDXCD-UHFFFAOYSA-N
XLogP1.91
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 110099097) is 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1c1cccc(C2CCCN2S(C)(=O)=O)n1.
What is the InChIKey of 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is WJATVHGKBNDXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(2)10-22-14(19)18(15)13-8-4-6-11(16-13)12-7-5-9-17(12)23(3,20)21/h4,6,8,12H,5,7,9-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 339.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).