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

C13H17NO2S — CID 59790440

IUPAC2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide
SMILESCCNC(=O)CS(=O)C1Cc2ccccc2C1
InChIInChI=1S/C13H17NO2S/c1-2-14-13(15)9-17(16)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,2,7-9H2,1H3,(H,14,15)
InChIKeySRRHYCUPPKXBOH-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.04
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide (PubChem CID 59790440) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide
PubChem CID59790440
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide
SMILESCCNC(=O)CS(=O)C1Cc2ccccc2C1
InChIInChI=1S/C13H17NO2S/c1-2-14-13(15)9-17(16)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,2,7-9H2,1H3,(H,14,15)
InChIKeySRRHYCUPPKXBOH-UHFFFAOYSA-N
XLogP1.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide
CID 124636324
N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119271421
3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide
CID 96562858
N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 125481439
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide
CID 99774697
(3R)-2-(ethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61188864
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 91836315
2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide (CID 59790440) is 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide is CCNC(=O)CS(=O)C1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide?
The InChIKey is SRRHYCUPPKXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-14-13(15)9-17(16)12-7-10-5-3-4-6-11(10)8-12/h3-6,12H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide?
2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide has a molecular weight of 251.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide is sourced from PubChem (CID 59790440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).