cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone

C15H19NO2S — CID 127770868

IUPACcyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CC1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C15H19NO2S/c17-14(12-1-2-12)16-7-5-15(6-8-16)13-11(3-9-18-15)4-10-19-13/h4,10,12H,1-3,5-9H2
InChIKeyQUYDOUXLWPEYGL-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.55
Rot. Bonds1

About cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone

cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (PubChem CID 127770868) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
PubChem CID127770868
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Namecyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CC1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C15H19NO2S/c17-14(12-1-2-12)16-7-5-15(6-8-16)13-11(3-9-18-15)4-10-19-13/h4,10,12H,1-3,5-9H2
InChIKeyQUYDOUXLWPEYGL-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (CID 127770868) is cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is O=C(C1CC1)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The InChIKey is QUYDOUXLWPEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-14(12-1-2-12)16-7-5-15(6-8-16)13-11(3-9-18-15)4-10-19-13/h4,10,12H,1-3,5-9H2.
What are the key properties of cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone has a molecular weight of 277.39 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 127770868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).