(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone

C14H17NO2S — CID 171943402

IUPAC(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1cc(C(=O)C2CC3CCC(C2)S3)ccn1
InChIInChI=1S/C14H17NO2S/c1-17-13-8-9(4-5-15-13)14(16)10-6-11-2-3-12(7-10)18-11/h4-5,8,10-12H,2-3,6-7H2,1H3
InChIKeyUKHQISMRSSDYMM-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.95
Rot. Bonds3

About (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone

(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171943402) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171943402
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1cc(C(=O)C2CC3CCC(C2)S3)ccn1
InChIInChI=1S/C14H17NO2S/c1-17-13-8-9(4-5-15-13)14(16)10-6-11-2-3-12(7-10)18-11/h4-5,8,10-12H,2-3,6-7H2,1H3
InChIKeyUKHQISMRSSDYMM-UHFFFAOYSA-N
XLogP2.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405
(3-methoxy-4-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947071
quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941860
(3-ethylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944460
(4-methylpyrimidin-2-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950608
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171940602
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
5-(8-thiabicyclo[3.2.1]octane-3-carbonyl)pyrimidine-2-carbonitrile
CID 171943377
(5-methoxy-2-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943486

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171943402) is (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone is COc1cc(C(=O)C2CC3CCC(C2)S3)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is UKHQISMRSSDYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-17-13-8-9(4-5-15-13)14(16)10-6-11-2-3-12(7-10)18-11/h4-5,8,10-12H,2-3,6-7H2,1H3.
What are the key properties of (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 263.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171943402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).