2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide

C19H21NO2S — CID 58957321

IUPAC2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC1Cc2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2C1
InChIInChI=1S/C19H21NO2S/c1-14-10-16-6-7-17(12-18(16)11-14)15-4-2-5-19(13-15)20-8-3-9-23(20,21)22/h2,4-7,12-14H,3,8-11H2,1H3
InChIKeySGWHTICXMNLMAA-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.63
Rot. Bonds2

About 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide

2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 58957321) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID58957321
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC1Cc2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2C1
InChIInChI=1S/C19H21NO2S/c1-14-10-16-6-7-17(12-18(16)11-14)15-4-2-5-19(13-15)20-8-3-9-23(20,21)22/h2,4-7,12-14H,3,8-11H2,1H3
InChIKeySGWHTICXMNLMAA-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide with MolForge

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Related Compounds

ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 44900852
N-[(1S)-1-cyclopropylethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 97310886
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 92893031
2-[3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 160733134
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclopentanesulfonamide
CID 110302255
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]but-3-ene-1-thiol
CID 170479280
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
1-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102071

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide (CID 58957321) is 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide is CC1Cc2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2C1.
What is the InChIKey of 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is SGWHTICXMNLMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-14-10-16-6-7-17(12-18(16)11-14)15-4-2-5-19(13-15)20-8-3-9-23(20,21)22/h2,4-7,12-14H,3,8-11H2,1H3.
What are the key properties of 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide?
2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 327.45 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58957321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).