1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C17H18FNO3S2 — CID 134817081

IUPAC1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C17H18FNO3S2/c18-14-1-3-15(4-2-14)24(20,21)19-9-7-17(8-10-19)16-13(5-11-22-17)6-12-23-16/h1-4,6,12H,5,7-11H2
InChIKeyQHYYJGHLTWIGDD-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.14
Rot. Bonds2

About 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134817081) has the molecular formula C17H18FNO3S2 and a molecular weight of 367.47 g/mol. Its IUPAC name is 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134817081
Molecular FormulaC17H18FNO3S2
Molecular Weight367.47 g/mol
Exact Mass367.07
IUPAC Name1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C17H18FNO3S2/c18-14-1-3-15(4-2-14)24(20,21)19-9-7-17(8-10-19)16-13(5-11-22-17)6-12-23-16/h1-4,6,12H,5,7-11H2
InChIKeyQHYYJGHLTWIGDD-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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

Launch Full Analysis

Related Compounds

1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
1'-(p-Tolylsulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134817021
CID 134817022
CID 134817022
1'-[(2,4-Difluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134816986
1'-(Benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134816990
1'-(2,4-Difluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134817026
1'-[(4-Fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134817057
1'-(4-Chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134817082
1'-(2,4-Dichlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 134817083
2-Phenyl-4-(thiophen-2-ylsulfonyl)morpholine
CID 16895228

Frequently Asked Questions

What is the IUPAC name of 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134817081) is 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is QHYYJGHLTWIGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S2/c18-14-1-3-15(4-2-14)24(20,21)19-9-7-17(8-10-19)16-13(5-11-22-17)6-12-23-16/h1-4,6,12H,5,7-11H2.
What are the key properties of 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 367.47 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-fluorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134817081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).