[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone

C23H26N2O2S — CID 170512633

IUPAC[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1[C@H]2CNC[C@@H]12)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C23H26N2O2S/c26-22(20-17-13-24-14-18(17)20)25-9-7-23(8-10-25)21-16(6-11-27-23)12-19(28-21)15-4-2-1-3-5-15/h1-5,12,17-18,20,24H,6-11,13-14H2/t17-,18+,20?
InChIKeyZQZTUSIOEIFRFN-UFRUDQCGSA-N
MW394.54 g/mol
LogP3.27
Rot. Bonds2

About [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone

[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (PubChem CID 170512633) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
PubChem CID170512633
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1[C@H]2CNC[C@@H]12)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C23H26N2O2S/c26-22(20-17-13-24-14-18(17)20)25-9-7-23(8-10-25)21-16(6-11-27-23)12-19(28-21)15-4-2-1-3-5-15/h1-5,12,17-18,20,24H,6-11,13-14H2/t17-,18+,20?
InChIKeyZQZTUSIOEIFRFN-UFRUDQCGSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (CID 170512633) is [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is O=C(C1[C@H]2CNC[C@@H]12)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12.
What is the InChIKey of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The InChIKey is ZQZTUSIOEIFRFN-UFRUDQCGSA-N. The full InChI is InChI=1S/C23H26N2O2S/c26-22(20-17-13-24-14-18(17)20)25-9-7-23(8-10-25)21-16(6-11-27-23)12-19(28-21)15-4-2-1-3-5-15/h1-5,12,17-18,20,24H,6-11,13-14H2/t17-,18+,20?.
What are the key properties of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone has a molecular weight of 394.54 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 170512633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).