1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine

C12H18N2O2S — CID 79579769

IUPAC1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
SMILESCC1CN(c2cccc(C(C)N)c2)S(=O)(=O)C1
InChIInChI=1S/C12H18N2O2S/c1-9-7-14(17(15,16)8-9)12-5-3-4-11(6-12)10(2)13/h3-6,9-10H,7-8,13H2,1-2H3
InChIKeyWRSNTTJXGYPGGL-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.49
Rot. Bonds2

About 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine

1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine (PubChem CID 79579769) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
PubChem CID79579769
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
SMILESCC1CN(c2cccc(C(C)N)c2)S(=O)(=O)C1
InChIInChI=1S/C12H18N2O2S/c1-9-7-14(17(15,16)8-9)12-5-3-4-11(6-12)10(2)13/h3-6,9-10H,7-8,13H2,1-2H3
InChIKeyWRSNTTJXGYPGGL-UHFFFAOYSA-N
XLogP1.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine
CID 79677718
1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol
CID 155687266
N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide
CID 146152852
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine
CID 43829237
CID 88556046
CID 88556046
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
3-[3-[1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]prop-2-enoic acid
CID 79557559
2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 79767144
2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 107641044
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732
N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide
CID 146128516

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine (CID 79579769) is 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine is CC1CN(c2cccc(C(C)N)c2)S(=O)(=O)C1.
What is the InChIKey of 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The InChIKey is WRSNTTJXGYPGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-7-14(17(15,16)8-9)12-5-3-4-11(6-12)10(2)13/h3-6,9-10H,7-8,13H2,1-2H3.
What are the key properties of 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine has a molecular weight of 254.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 79579769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).