3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione

C18H16N2O2S — CID 3858011

IUPAC3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CCSC23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-6-8-13(9-7-12)20-16(21)10-11-23-18(20)14-4-2-3-5-15(14)19-17(18)22/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyDWORARQWIXXBCR-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.27
Rot. Bonds1

About 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione

3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione (PubChem CID 3858011) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
PubChem CID3858011
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CCSC23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-6-8-13(9-7-12)20-16(21)10-11-23-18(20)14-4-2-3-5-15(14)19-17(18)22/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyDWORARQWIXXBCR-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione?
The IUPAC name of 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione (CID 3858011) is 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione is Cc1ccc(N2C(=O)CCSC23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione?
The InChIKey is DWORARQWIXXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-6-8-13(9-7-12)20-16(21)10-11-23-18(20)14-4-2-3-5-15(14)19-17(18)22/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione?
3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione has a molecular weight of 324.41 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 3858011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).