2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one

C13H19NO4S — CID 115794538

IUPAC2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
SMILESCC(C)Oc1cncc(C(=O)C(C)(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO4S/c1-9(2)18-11-6-10(7-14-8-11)12(15)13(3,4)19(5,16)17/h6-9H,1-5H3
InChIKeyYSKBERGFDZMUKT-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.87
Rot. Bonds5

About 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one

2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one (PubChem CID 115794538) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
PubChem CID115794538
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
SMILESCC(C)Oc1cncc(C(=O)C(C)(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO4S/c1-9(2)18-11-6-10(7-14-8-11)12(15)13(3,4)19(5,16)17/h6-9H,1-5H3
InChIKeyYSKBERGFDZMUKT-UHFFFAOYSA-N
XLogP1.87
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-one
CID 114963500
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide
CID 109380782
2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116751567
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614
2-methylhex-5-en-2-yl 5-propan-2-yloxypyridine-3-carboxylate
CID 86796842
3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 116565258
7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
CID 116551477
morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one (CID 115794538) is 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one is CC(C)Oc1cncc(C(=O)C(C)(C)S(C)(=O)=O)c1.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one?
The InChIKey is YSKBERGFDZMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9(2)18-11-6-10(7-14-8-11)12(15)13(3,4)19(5,16)17/h6-9H,1-5H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one?
2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one has a molecular weight of 285.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 115794538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).