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

C13H17NO2S — CID 124636324

IUPAC2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[S@@](=O)C1Cc2ccccc2C1
InChIInChI=1S/C13H17NO2S/c1-14(2)13(15)9-17(16)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-9H2,1-2H3/t17-/m1/s1
InChIKeyFEPFUTOYQFGKHZ-QGZVFWFLSA-N
MW251.35 g/mol
LogP0.99
Rot. Bonds3

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

2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide (PubChem CID 124636324) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide
PubChem CID124636324
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[S@@](=O)C1Cc2ccccc2C1
InChIInChI=1S/C13H17NO2S/c1-14(2)13(15)9-17(16)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-9H2,1-2H3/t17-/m1/s1
InChIKeyFEPFUTOYQFGKHZ-QGZVFWFLSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide (CID 124636324) is 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide is CN(C)C(=O)C[S@@](=O)C1Cc2ccccc2C1.
What is the InChIKey of 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide?
The InChIKey is FEPFUTOYQFGKHZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-14(2)13(15)9-17(16)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,7-9H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide?
2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide has a molecular weight of 251.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 124636324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).