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

C18H21NOS — CID 70676937

IUPAC1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-5,7,13H,6,8-12,14H2
InChIKeyZZQIGFUYNABBCP-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.81
Rot. Bonds2

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

1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 70676937) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID70676937
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-5,7,13H,6,8-12,14H2
InChIKeyZZQIGFUYNABBCP-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 70676937) is 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is c1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1.
What is the InChIKey of 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is ZZQIGFUYNABBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-5,7,13H,6,8-12,14H2.
What are the key properties of 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 299.44 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 70676937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).