2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one

C10H12N2O2S — CID 56694343

IUPAC2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one
SMILESCS(C)(=O)=NN1Cc2ccccc2C1=O
InChIInChI=1S/C10H12N2O2S/c1-15(2,14)11-12-7-8-5-3-4-6-9(8)10(12)13/h3-6H,7H2,1-2H3
InChIKeyOTJLLRIYZKVDOH-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.28
Rot. Bonds1

About 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one

2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one (PubChem CID 56694343) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one
PubChem CID56694343
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one
SMILESCS(C)(=O)=NN1Cc2ccccc2C1=O
InChIInChI=1S/C10H12N2O2S/c1-15(2,14)11-12-7-8-5-3-4-6-9(8)10(12)13/h3-6H,7H2,1-2H3
InChIKeyOTJLLRIYZKVDOH-UHFFFAOYSA-N
XLogP1.28
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one?
The IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one (CID 56694343) is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one?
The canonical SMILES for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one is CS(C)(=O)=NN1Cc2ccccc2C1=O.
What is the InChIKey of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one?
The InChIKey is OTJLLRIYZKVDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-15(2,14)11-12-7-8-5-3-4-6-9(8)10(12)13/h3-6H,7H2,1-2H3.
What are the key properties of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one?
2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one has a molecular weight of 224.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3H-isoindol-1-one is sourced from PubChem (CID 56694343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).