spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one

C12H14N2OS — CID 84697857

IUPACspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one
SMILESO=C1Nc2ccccc2NC12CCSCC2
InChIInChI=1S/C12H14N2OS/c15-11-12(5-7-16-8-6-12)14-10-4-2-1-3-9(10)13-11/h1-4,14H,5-8H2,(H,13,15)
InChIKeySDYFGZWDTPFIPQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.32
Rot. Bonds

About spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one

spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one (PubChem CID 84697857) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one.

Molecular Properties

Compound Namespiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one
PubChem CID84697857
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Namespiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one
SMILESO=C1Nc2ccccc2NC12CCSCC2
InChIInChI=1S/C12H14N2OS/c15-11-12(5-7-16-8-6-12)14-10-4-2-1-3-9(10)13-11/h1-4,14H,5-8H2,(H,13,15)
InChIKeySDYFGZWDTPFIPQ-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one?
The IUPAC name of spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one (CID 84697857) is spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one.
What is the SMILES notation for spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one?
The canonical SMILES for spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one is O=C1Nc2ccccc2NC12CCSCC2.
What is the InChIKey of spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one?
The InChIKey is SDYFGZWDTPFIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-11-12(5-7-16-8-6-12)14-10-4-2-1-3-9(10)13-11/h1-4,14H,5-8H2,(H,13,15).
What are the key properties of spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one?
spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one has a molecular weight of 234.32 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one is sourced from PubChem (CID 84697857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).