2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C19H25N3O3S2 — CID 155508041

IUPAC2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCCS(=O)(=O)N1CCC2(CC1)OCCc1cc(-c3ccc(C)nn3)sc12
InChIInChI=1S/C19H25N3O3S2/c1-3-12-27(23,24)22-9-7-19(8-10-22)18-15(6-11-25-19)13-17(26-18)16-5-4-14(2)20-21-16/h4-5,13H,3,6-12H2,1-2H3
InChIKeyKWNBSACPZIEEDX-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.12
Rot. Bonds4

About 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 155508041) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID155508041
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCCS(=O)(=O)N1CCC2(CC1)OCCc1cc(-c3ccc(C)nn3)sc12
InChIInChI=1S/C19H25N3O3S2/c1-3-12-27(23,24)22-9-7-19(8-10-22)18-15(6-11-25-19)13-17(26-18)16-5-4-14(2)20-21-16/h4-5,13H,3,6-12H2,1-2H3
InChIKeyKWNBSACPZIEEDX-UHFFFAOYSA-N
XLogP3.12
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

acetic acid;2-(6-thiomorpholin-4-ylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 155972643
[2-(6-methyl-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-(1H-pyrrol-2-yl)methanone
CID 155496253
2-(3,5-dimethylpyrazol-1-yl)-1-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethanone
CID 170509517
N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169418054
2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 155509497
1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164690045
1-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-2-pyridin-2-ylsulfanylethanone
CID 170502068
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135094594
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170512633
6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
CID 172882114
1'-(2-methylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164692421

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 155508041) is 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CCCS(=O)(=O)N1CCC2(CC1)OCCc1cc(-c3ccc(C)nn3)sc12.
What is the InChIKey of 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is KWNBSACPZIEEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-3-12-27(23,24)22-9-7-19(8-10-22)18-15(6-11-25-19)13-17(26-18)16-5-4-14(2)20-21-16/h4-5,13H,3,6-12H2,1-2H3.
What are the key properties of 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 407.56 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 155508041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).