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

C17H18ClNO3S2 — CID 134817082

IUPAC1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C17H18ClNO3S2/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
InChIKeyXIDQFJKLOZUZEL-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.65
Rot. Bonds2

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

1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134817082) has the molecular formula C17H18ClNO3S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134817082
Molecular FormulaC17H18ClNO3S2
Molecular Weight383.92 g/mol
Exact Mass383.04
IUPAC Name1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C17H18ClNO3S2/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
InChIKeyXIDQFJKLOZUZEL-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134817082) is 1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of 1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is XIDQFJKLOZUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S2/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-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 383.92 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chlorophenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134817082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).