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

C18H21NO3S2 — CID 134817021

IUPAC1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H21NO3S2/c1-14-2-4-16(5-3-14)24(20,21)19-10-8-18(9-11-19)17-15(6-12-22-18)7-13-23-17/h2-5,7,13H,6,8-12H2,1H3
InChIKeyXZTHXIGLEYUDFZ-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.31
Rot. Bonds2

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

1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134817021) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134817021
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC Name1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H21NO3S2/c1-14-2-4-16(5-3-14)24(20,21)19-10-8-18(9-11-19)17-15(6-12-22-18)7-13-23-17/h2-5,7,13H,6,8-12H2,1H3
InChIKeyXZTHXIGLEYUDFZ-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134817021) is 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCc2ccsc23)cc1.
What is the InChIKey of 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is XZTHXIGLEYUDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-14-2-4-16(5-3-14)24(20,21)19-10-8-18(9-11-19)17-15(6-12-22-18)7-13-23-17/h2-5,7,13H,6,8-12H2,1H3.
What are the key properties of 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 363.50 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methylphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134817021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).