2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine

C11H16N2OS — CID 112651648

IUPAC2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine
SMILESCc1cccnc1CS(=O)CC1CNC1
InChIInChI=1S/C11H16N2OS/c1-9-3-2-4-13-11(9)8-15(14)7-10-5-12-6-10/h2-4,10,12H,5-8H2,1H3
InChIKeyBSYYIGKEBAAMHW-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.86
Rot. Bonds4

About 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine

2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine (PubChem CID 112651648) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine
PubChem CID112651648
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine
SMILESCc1cccnc1CS(=O)CC1CNC1
InChIInChI=1S/C11H16N2OS/c1-9-3-2-4-13-11(9)8-15(14)7-10-5-12-6-10/h2-4,10,12H,5-8H2,1H3
InChIKeyBSYYIGKEBAAMHW-UHFFFAOYSA-N
XLogP0.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methyl-2-pyridinyl)methylsulfinyl]propanoic acid
CID 112651143
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
2-methyl-3-[(3-methyl-2-pyridinyl)methylsulfinyl]propanoic acid
CID 112651149
2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166419
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107148490
4-[(3-methyl-2-pyridinyl)methylsulfinyl]aniline
CID 112651202
(3aR,6aS)-5-[(3-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660794
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
2-acetamido-3-[(3-methyl-2-pyridinyl)methylsulfinyl]propanoic acid
CID 107768693
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 63306283
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine?
The IUPAC name of 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine (CID 112651648) is 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine is Cc1cccnc1CS(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine?
The InChIKey is BSYYIGKEBAAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-3-2-4-13-11(9)8-15(14)7-10-5-12-6-10/h2-4,10,12H,5-8H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine?
2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine has a molecular weight of 224.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfinylmethyl)-3-methylpyridine is sourced from PubChem (CID 112651648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).