1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C16H18N2OS — CID 135118729

IUPAC1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1cc(N2CCC3(CC2)OCCc2ccsc23)ccn1
InChIInChI=1S/C16H18N2OS/c1-7-17-8-2-14(1)18-9-5-16(6-10-18)15-13(3-11-19-16)4-12-20-15/h1-2,4,7-8,12H,3,5-6,9-11H2
InChIKeyLPLRUZKXHWPQOB-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.21
Rot. Bonds1

About 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 135118729) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID135118729
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1cc(N2CCC3(CC2)OCCc2ccsc23)ccn1
InChIInChI=1S/C16H18N2OS/c1-7-17-8-2-14(1)18-9-5-16(6-10-18)15-13(3-11-19-16)4-12-20-15/h1-2,4,7-8,12H,3,5-6,9-11H2
InChIKeyLPLRUZKXHWPQOB-UHFFFAOYSA-N
XLogP3.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 135118729) is 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is c1cc(N2CCC3(CC2)OCCc2ccsc23)ccn1.
What is the InChIKey of 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is LPLRUZKXHWPQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-7-17-8-2-14(1)18-9-5-16(6-10-18)15-13(3-11-19-16)4-12-20-15/h1-2,4,7-8,12H,3,5-6,9-11H2.
What are the key properties of 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 286.40 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 135118729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).