ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide

C12H19NO2S — CID 166090798

IUPACethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC.Cc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H13NO2S.C2H6/c1-9-4-2-5-10(8-9)11-6-3-7-14(11,12)13;1-2/h2,4-5,8H,3,6-7H2,1H3;1-2H3
InChIKeyUKEINZPJCJSTJY-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.56
Rot. Bonds1

About ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide

ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 166090798) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Nameethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID166090798
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nameethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC.Cc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H13NO2S.C2H6/c1-9-4-2-5-10(8-9)11-6-3-7-14(11,12)13;1-2/h2,4-5,8H,3,6-7H2,1H3;1-2H3
InChIKeyUKEINZPJCJSTJY-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
CID 30375013
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133471842
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
2-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]-1,2-thiazolidine 1,1-dioxide
CID 58957321
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 112503000
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624572
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoic acid
CID 63653009
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide (CID 166090798) is ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide is CC.Cc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is UKEINZPJCJSTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S.C2H6/c1-9-4-2-5-10(8-9)11-6-3-7-14(11,12)13;1-2/h2,4-5,8H,3,6-7H2,1H3;1-2H3.
What are the key properties of ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide?
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 241.36 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 166090798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).