(4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate

C10H15NO4S — CID 19747088

IUPAC(4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate
SMILESCc1cc(C(C)C)n(OS(C)(=O)=O)c(=O)c1
InChIInChI=1S/C10H15NO4S/c1-7(2)9-5-8(3)6-10(12)11(9)15-16(4,13)14/h5-7H,1-4H3
InChIKeyYALJRSLHHOVPJL-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.67
Rot. Bonds3

About (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate

(4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate (PubChem CID 19747088) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate.

Molecular Properties

Compound Name(4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate
PubChem CID19747088
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name(4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate
SMILESCc1cc(C(C)C)n(OS(C)(=O)=O)c(=O)c1
InChIInChI=1S/C10H15NO4S/c1-7(2)9-5-8(3)6-10(12)11(9)15-16(4,13)14/h5-7H,1-4H3
InChIKeyYALJRSLHHOVPJL-UHFFFAOYSA-N
XLogP0.67
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-ethyl-2-oxo-6-[(E)-pent-1-enyl]-1-pyridinyl] methanesulfonate
CID 19099962
1-Hydroxy-4-methyl-6-propan-2-ylpyridin-2-one
CID 19747084
[4-Methyl-2-(2-methylprop-1-enyl)-6-oxo-1-pyridinyl] methanesulfonate
CID 21752769
(2,4-Dimethyl-6-oxo-1-pyridinyl) methanesulfonate
CID 22098061
(3-Cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate
CID 22098075
(4-Ethyl-2-oxo-6-pent-1-enyl-1-pyridinyl) methanesulfonate
CID 54531139

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate?
The IUPAC name of (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate (CID 19747088) is (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate.
What is the SMILES notation for (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate?
The canonical SMILES for (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate is Cc1cc(C(C)C)n(OS(C)(=O)=O)c(=O)c1.
What is the InChIKey of (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate?
The InChIKey is YALJRSLHHOVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-7(2)9-5-8(3)6-10(12)11(9)15-16(4,13)14/h5-7H,1-4H3.
What are the key properties of (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate?
(4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate has a molecular weight of 245.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxo-6-propan-2-yl-1-pyridinyl) methanesulfonate is sourced from PubChem (CID 19747088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).