(6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone

C14H17NO2S — CID 171950338

IUPAC(6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cccc(C(=O)C2CC3CCC(C2)S3=O)n1
InChIInChI=1S/C14H17NO2S/c1-9-3-2-4-13(15-9)14(16)10-7-11-5-6-12(8-10)18(11)17/h2-4,10-12H,5-8H2,1H3
InChIKeyPFNBSXWUGWPFNQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.26
Rot. Bonds2

About (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone

(6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171950338) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171950338
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cccc(C(=O)C2CC3CCC(C2)S3=O)n1
InChIInChI=1S/C14H17NO2S/c1-9-3-2-4-13(15-9)14(16)10-7-11-5-6-12(8-10)18(11)17/h2-4,10-12H,5-8H2,1H3
InChIKeyPFNBSXWUGWPFNQ-UHFFFAOYSA-N
XLogP2.26
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

(6-methylpyrazin-2-yl)-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171950643
(3-methylphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950874
(4-methylpyrimidin-2-yl)-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171950618
(2-methyl-3-pyridinyl)-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171950396
(5-methyl-3-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950411
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-quinolin-5-ylmethanone
CID 171941788
6-methylpyridine-2-carbonyl iodide
CID 154552361
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
(2,4-dimethylphenyl)-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944446
cyclopropyl-(6-fluoro-2-pyridinyl)methanone
CID 134465722
8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
CID 171943519

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171950338) is (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone is Cc1cccc(C(=O)C2CC3CCC(C2)S3=O)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is PFNBSXWUGWPFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9-3-2-4-13(15-9)14(16)10-7-11-5-6-12(8-10)18(11)17/h2-4,10-12H,5-8H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
(6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 263.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171950338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).