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

C18H21NO4S2 — CID 134817022

IUPAC1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H21NO4S2/c1-22-15-2-4-16(5-3-15)25(20,21)19-10-8-18(9-11-19)17-14(6-12-23-18)7-13-24-17/h2-5,7,13H,6,8-12H2,1H3
InChIKeyRGBUVAXGHYFXSQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.01
Rot. Bonds3

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

1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134817022) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134817022
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)OCCc2ccsc23)cc1
InChIInChI=1S/C18H21NO4S2/c1-22-15-2-4-16(5-3-15)25(20,21)19-10-8-18(9-11-19)17-14(6-12-23-18)7-13-24-17/h2-5,7,13H,6,8-12H2,1H3
InChIKeyRGBUVAXGHYFXSQ-UHFFFAOYSA-N
XLogP3.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134817022) is 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCc2ccsc23)cc1.
What is the InChIKey of 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is RGBUVAXGHYFXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-22-15-2-4-16(5-3-15)25(20,21)19-10-8-18(9-11-19)17-14(6-12-23-18)7-13-24-17/h2-5,7,13H,6,8-12H2,1H3.
What are the key properties of 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 379.50 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxyphenyl)sulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134817022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).