2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide

C13H19NO3S — CID 82134337

IUPAC2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCOc1ccc(CCN2CCCS2(=O)=O)cc1C
InChIInChI=1S/C13H19NO3S/c1-11-10-12(4-5-13(11)17-2)6-8-14-7-3-9-18(14,15)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyLEHIOOVSUDIPPS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.58
Rot. Bonds4

About 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide

2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 82134337) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID82134337
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCOc1ccc(CCN2CCCS2(=O)=O)cc1C
InChIInChI=1S/C13H19NO3S/c1-11-10-12(4-5-13(11)17-2)6-8-14-7-3-9-18(14,15)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyLEHIOOVSUDIPPS-UHFFFAOYSA-N
XLogP1.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 94697958
2-[(2-methoxy-5-methylphenyl)methyl]thiazinane 1,1-dioxide
CID 82134338
2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
CID 82132335
1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one
CID 96665912
1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine
CID 82302915
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethanamine
CID 119123232
N-[(3-bromo-4-methylphenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine
CID 126802467
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
CID 142112207
1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol
CID 123223868
2-[2-(3,5-dimethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134347

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide (CID 82134337) is 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide is COc1ccc(CCN2CCCS2(=O)=O)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LEHIOOVSUDIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-10-12(4-5-13(11)17-2)6-8-14-7-3-9-18(14,15)16/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 82134337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).