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

C17H19NO3S2 — CID 134816990

IUPAC1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C17H19NO3S2/c19-23(20,15-4-2-1-3-5-15)18-10-8-17(9-11-18)16-14(6-12-21-17)7-13-22-16/h1-5,7,13H,6,8-12H2
InChIKeyIFZGMHVPFFGMNS-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.00
Rot. Bonds2

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

1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 134816990) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID134816990
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C17H19NO3S2/c19-23(20,15-4-2-1-3-5-15)18-10-8-17(9-11-18)16-14(6-12-21-17)7-13-22-16/h1-5,7,13H,6,8-12H2
InChIKeyIFZGMHVPFFGMNS-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 134816990) is 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is IFZGMHVPFFGMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c19-23(20,15-4-2-1-3-5-15)18-10-8-17(9-11-18)16-14(6-12-21-17)7-13-22-16/h1-5,7,13H,6,8-12H2.
What are the key properties of 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 349.48 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(benzenesulfonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 134816990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).