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

C22H25NO4S2 — CID 170509082

IUPAC(1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C22H25NO4S2/c24-21(18-7-13-29(25,26)15-18)23-10-8-22(9-11-23)20-17(6-12-27-22)14-19(28-20)16-4-2-1-3-5-16/h1-5,14,18H,6-13,15H2
InChIKeySYGUVSLERBPHDG-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.24
Rot. Bonds2

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

(1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (PubChem CID 170509082) has the molecular formula C22H25NO4S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
PubChem CID170509082
Molecular FormulaC22H25NO4S2
Molecular Weight431.58 g/mol
Exact Mass431.12
IUPAC Name(1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C22H25NO4S2/c24-21(18-7-13-29(25,26)15-18)23-10-8-22(9-11-23)20-17(6-12-27-22)14-19(28-20)16-4-2-1-3-5-16/h1-5,14,18H,6-13,15H2
InChIKeySYGUVSLERBPHDG-UHFFFAOYSA-N
XLogP3.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1,1-dioxothiolan-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 (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone (CID 170509082) is (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is O=C(C1CCS(=O)(=O)C1)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
The InChIKey is SYGUVSLERBPHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4S2/c24-21(18-7-13-29(25,26)15-18)23-10-8-22(9-11-23)20-17(6-12-27-22)14-19(28-20)16-4-2-1-3-5-16/h1-5,14,18H,6-13,15H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone?
(1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone has a molecular weight of 431.58 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 170509082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).