2-methyl-2-pyridin-2-ylsulfanylpropanoic acid

C9H11NO2S — CID 11557470

IUPAC2-methyl-2-pyridin-2-ylsulfanylpropanoic acid
SMILESCC(C)(Sc1ccccn1)C(=O)O
InChIInChI=1S/C9H11NO2S/c1-9(2,8(11)12)13-7-5-3-4-6-10-7/h3-6H,1-2H3,(H,11,12)
InChIKeyZOMNMLSTNJZRBU-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid

2-methyl-2-pyridin-2-ylsulfanylpropanoic acid (PubChem CID 11557470) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-pyridin-2-ylsulfanylpropanoic acid
PubChem CID11557470
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-methyl-2-pyridin-2-ylsulfanylpropanoic acid
SMILESCC(C)(Sc1ccccn1)C(=O)O
InChIInChI=1S/C9H11NO2S/c1-9(2,8(11)12)13-7-5-3-4-6-10-7/h3-6H,1-2H3,(H,11,12)
InChIKeyZOMNMLSTNJZRBU-UHFFFAOYSA-N
XLogP2.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid (CID 11557470) is 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid is CC(C)(Sc1ccccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid?
The InChIKey is ZOMNMLSTNJZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-9(2,8(11)12)13-7-5-3-4-6-10-7/h3-6H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid?
2-methyl-2-pyridin-2-ylsulfanylpropanoic acid has a molecular weight of 197.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyridin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 11557470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).