[(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone

C23H28N2O3S — CID 170510703

IUPAC[(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESCN1CCOC[C@H]1C(=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C23H28N2O3S/c1-24-12-14-27-16-19(24)22(26)25-10-8-23(9-11-25)21-18(7-13-28-23)15-20(29-21)17-5-3-2-4-6-17/h2-6,15,19H,7-14,16H2,1H3/t19-/m0/s1
InChIKeyQHIJDHOEBMZKLF-IBGZPJMESA-N
MW412.56 g/mol
LogP3.14
Rot. Bonds2

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

[(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (PubChem CID 170510703) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
PubChem CID170510703
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name[(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESCN1CCOC[C@H]1C(=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C23H28N2O3S/c1-24-12-14-27-16-19(24)22(26)25-10-8-23(9-11-25)21-18(7-13-28-23)15-20(29-21)17-5-3-2-4-6-17/h2-6,15,19H,7-14,16H2,1H3/t19-/m0/s1
InChIKeyQHIJDHOEBMZKLF-IBGZPJMESA-N
XLogP3.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (CID 170510703) is [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is CN1CCOC[C@H]1C(=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12.
What is the InChIKey of [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The InChIKey is QHIJDHOEBMZKLF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-24-12-14-27-16-19(24)22(26)25-10-8-23(9-11-25)21-18(7-13-28-23)15-20(29-21)17-5-3-2-4-6-17/h2-6,15,19H,7-14,16H2,1H3/t19-/m0/s1.
What are the key properties of [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
[(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone has a molecular weight of 412.56 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methylmorpholin-3-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 170510703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).