2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide

C13H17NO2S — CID 11528939

IUPAC2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)C1CCc2ccccc21
InChIInChI=1S/C13H17NO2S/c1-14(2)13(15)9-17(16)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3
InChIKeySTTVDBASNZTGDN-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.51
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide

2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide (PubChem CID 11528939) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide
PubChem CID11528939
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)C1CCc2ccccc21
InChIInChI=1S/C13H17NO2S/c1-14(2)13(15)9-17(16)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3
InChIKeySTTVDBASNZTGDN-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide (CID 11528939) is 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)C1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide?
The InChIKey is STTVDBASNZTGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-14(2)13(15)9-17(16)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide?
2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide has a molecular weight of 251.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-N,N-dimethylacetamide is sourced from PubChem (CID 11528939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).