1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride

C11H17ClN2O2S — CID 75414041

IUPAC1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(N2CCCS2(=O)=O)cc1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-9(12)10-3-5-11(6-4-10)13-7-2-8-16(13,14)15;/h3-6,9H,2,7-8,12H2,1H3;1H
InChIKeyPHFYIDSXQMHOBS-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.67
Rot. Bonds2

About 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride

1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride (PubChem CID 75414041) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
PubChem CID75414041
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(N2CCCS2(=O)=O)cc1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-9(12)10-3-5-11(6-4-10)13-7-2-8-16(13,14)15;/h3-6,9H,2,7-8,12H2,1H3;1H
InChIKeyPHFYIDSXQMHOBS-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid
CID 58431987
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
CID 167219032
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120849575
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
CID 126795841
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058834
1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
CID 116814541

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride (CID 75414041) is 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride is CC(N)c1ccc(N2CCCS2(=O)=O)cc1.Cl.
What is the InChIKey of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride?
The InChIKey is PHFYIDSXQMHOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c1-9(12)10-3-5-11(6-4-10)13-7-2-8-16(13,14)15;/h3-6,9H,2,7-8,12H2,1H3;1H.
What are the key properties of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride?
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 75414041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).