(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine

C12H18N2O2S — CID 93256546

IUPAC(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
SMILESCN[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-10(13-2)11-4-6-12(7-5-11)14-8-3-9-17(14,15)16/h4-7,10,13H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyBZFLJRBUFXSNDN-SNVBAGLBSA-N
MW254.36 g/mol
LogP1.51
Rot. Bonds3

About (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine

(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine (PubChem CID 93256546) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
PubChem CID93256546
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
SMILESCN[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H18N2O2S/c1-10(13-2)11-4-6-12(7-5-11)14-8-3-9-17(14,15)16/h4-7,10,13H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyBZFLJRBUFXSNDN-SNVBAGLBSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
CID 75414041
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid
CID 58431987
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
CID 126795841
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 166212848
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
CID 167219032
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
CID 168653690
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110994
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 34282281

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine?
The IUPAC name of (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine (CID 93256546) is (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine?
The canonical SMILES for (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine is CN[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine?
The InChIKey is BZFLJRBUFXSNDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(13-2)11-4-6-12(7-5-11)14-8-3-9-17(14,15)16/h4-7,10,13H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine?
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine has a molecular weight of 254.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 93256546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).