1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C16H23NO2S — CID 135088982

IUPAC1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESc1cc2c(s1)CCOC21CCN(CC2CCOC2)CC1
InChIInChI=1S/C16H23NO2S/c1-8-18-12-13(1)11-17-6-4-16(5-7-17)14-3-10-20-15(14)2-9-19-16/h3,10,13H,1-2,4-9,11-12H2
InChIKeyUUBXMRCKYVABHA-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.65
Rot. Bonds2

About 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 135088982) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID135088982
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESc1cc2c(s1)CCOC21CCN(CC2CCOC2)CC1
InChIInChI=1S/C16H23NO2S/c1-8-18-12-13(1)11-17-6-4-16(5-7-17)14-3-10-20-15(14)2-9-19-16/h3,10,13H,1-2,4-9,11-12H2
InChIKeyUUBXMRCKYVABHA-UHFFFAOYSA-N
XLogP2.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 135088982) is 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is c1cc2c(s1)CCOC21CCN(CC2CCOC2)CC1.
What is the InChIKey of 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is UUBXMRCKYVABHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-8-18-12-13(1)11-17-6-4-16(5-7-17)14-3-10-20-15(14)2-9-19-16/h3,10,13H,1-2,4-9,11-12H2.
What are the key properties of 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 293.43 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 135088982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).