spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone

C16H17NO2S2 — CID 135110778

IUPACspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C16H17NO2S2/c18-15(12-2-9-20-11-12)17-6-4-16(5-7-17)13-3-10-21-14(13)1-8-19-16/h2-3,9-11H,1,4-8H2
InChIKeyAQPOOEQZHLYARO-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.51
Rot. Bonds1

About spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone

spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone (PubChem CID 135110778) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Namespiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
PubChem CID135110778
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Namespiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C16H17NO2S2/c18-15(12-2-9-20-11-12)17-6-4-16(5-7-17)13-3-10-21-14(13)1-8-19-16/h2-3,9-11H,1,4-8H2
InChIKeyAQPOOEQZHLYARO-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazol-4-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135103946
(4-fluoro-3-methylphenyl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 135099460
[1-(pyridine-4-carbonyl)piperidin-4-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163315307
5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrazin-2-one
CID 135117302
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
2,3-dihydro-1,4-benzodioxin-5-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135118300
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
CID 135119505
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 135088266
(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163306291
2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one
CID 135117997

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone?
The IUPAC name of spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone (CID 135110778) is spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone.
What is the SMILES notation for spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone?
The canonical SMILES for spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone?
The InChIKey is AQPOOEQZHLYARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c18-15(12-2-9-20-11-12)17-6-4-16(5-7-17)13-3-10-21-14(13)1-8-19-16/h2-3,9-11H,1,4-8H2.
What are the key properties of spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone?
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone has a molecular weight of 319.45 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 135110778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).