(4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone

C15H19NO2S — CID 171943461

IUPAC(4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCOc1ccncc1C(=O)C1CC2CCCC(C1)S2
InChIInChI=1S/C15H19NO2S/c1-18-14-5-6-16-9-13(14)15(17)10-7-11-3-2-4-12(8-10)19-11/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyRRKXAXBDEVZSSM-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.34
Rot. Bonds3

About (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone

(4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171943461) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171943461
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCOc1ccncc1C(=O)C1CC2CCCC(C1)S2
InChIInChI=1S/C15H19NO2S/c1-18-14-5-6-16-9-13(14)15(17)10-7-11-3-2-4-12(8-10)19-11/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyRRKXAXBDEVZSSM-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943456
(4-methoxynaphthalen-1-yl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943186
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110
(2-fluoro-6-methoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947293
(3-methoxy-4-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947071
(5-methoxy-2-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943486
(2-fluoro-5-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944984
4-methoxypyridine-3-carboxylate
CID 26119064
(E)-3-(1-adamantyl)-1-(4-methoxy-3-pyridinyl)prop-2-en-1-one
CID 69165632
9-thiabicyclo[3.3.1]nonan-3-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 171949300
(2-phenylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943261
(2-methoxy-4-pyridinyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171943402

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone (CID 171943461) is (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone is COc1ccncc1C(=O)C1CC2CCCC(C1)S2.
What is the InChIKey of (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is RRKXAXBDEVZSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-18-14-5-6-16-9-13(14)15(17)10-7-11-3-2-4-12(8-10)19-11/h5-6,9-12H,2-4,7-8H2,1H3.
What are the key properties of (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
(4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 277.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171943461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).