2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid

C11H15NO3S — CID 105355701

IUPAC2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid
SMILESCCC(C(=O)O)S(=O)Cc1cccc(C)n1
InChIInChI=1S/C11H15NO3S/c1-3-10(11(13)14)16(15)7-9-6-4-5-8(2)12-9/h4-6,10H,3,7H2,1-2H3,(H,13,14)
InChIKeyDRRCKSBZLMOTOH-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.50
Rot. Bonds5

About 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid

2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid (PubChem CID 105355701) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid
PubChem CID105355701
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid
SMILESCCC(C(=O)O)S(=O)Cc1cccc(C)n1
InChIInChI=1S/C11H15NO3S/c1-3-10(11(13)14)16(15)7-9-6-4-5-8(2)12-9/h4-6,10H,3,7H2,1-2H3,(H,13,14)
InChIKeyDRRCKSBZLMOTOH-UHFFFAOYSA-N
XLogP1.50
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methylsulfinyl]butanoic acid
CID 62766231
(6-methyl-2-pyridinyl)methanesulfinic acid
CID 174710175
2-(2-pyridin-2-ylethylsulfinyl)butanoic acid
CID 105355671
2-[4-[(6-methyl-2-pyridinyl)methylsulfinyl]phenyl]acetic acid
CID 79261577
2-[(3-methoxyphenyl)methylsulfinyl]butanoic acid
CID 105355687
1-(6-methyl-2-pyridinyl)butan-2-ol
CID 63200949
(2S,3S)-3-methyl-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 62306858
2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfinyl]butanoic acid
CID 105355580
CID 131847838
CID 131847838
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55057146
2-[(1-methylindazol-3-yl)methylsulfinyl]butanoic acid
CID 105355407
2-[(6-methyl-2-pyridinyl)methylsulfonyl]propanoic acid
CID 79268059

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid (CID 105355701) is 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid is CCC(C(=O)O)S(=O)Cc1cccc(C)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid?
The InChIKey is DRRCKSBZLMOTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-10(11(13)14)16(15)7-9-6-4-5-8(2)12-9/h4-6,10H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid?
2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid is sourced from PubChem (CID 105355701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).