5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine

C22H25NO3S — CID 18933942

IUPAC5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine
SMILESCOc1ccc(C2=C(c3ccc(S(C)(=O)=O)nc3)CC3(CCCC3)C2)cc1
InChIInChI=1S/C22H25NO3S/c1-26-18-8-5-16(6-9-18)19-13-22(11-3-4-12-22)14-20(19)17-7-10-21(23-15-17)27(2,24)25/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyFAPQXLJSYUADBZ-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.76
Rot. Bonds4

About 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine

5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine (PubChem CID 18933942) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine
PubChem CID18933942
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC Name5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine
SMILESCOc1ccc(C2=C(c3ccc(S(C)(=O)=O)nc3)CC3(CCCC3)C2)cc1
InChIInChI=1S/C22H25NO3S/c1-26-18-8-5-16(6-9-18)19-13-22(11-3-4-12-22)14-20(19)17-7-10-21(23-15-17)27(2,24)25/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyFAPQXLJSYUADBZ-UHFFFAOYSA-N
XLogP4.76
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine?
The IUPAC name of 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine (CID 18933942) is 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine?
The canonical SMILES for 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine is COc1ccc(C2=C(c3ccc(S(C)(=O)=O)nc3)CC3(CCCC3)C2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine?
The InChIKey is FAPQXLJSYUADBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-26-18-8-5-16(6-9-18)19-13-22(11-3-4-12-22)14-20(19)17-7-10-21(23-15-17)27(2,24)25/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine?
5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine has a molecular weight of 383.51 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)spiro[4.4]non-2-en-3-yl]-2-methylsulfonylpyridine is sourced from PubChem (CID 18933942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).