3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline

C11H15ClN2O2S — CID 62566005

IUPAC3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline
SMILESO=S1(=O)CCCN1CCNc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c12-10-3-1-4-11(9-10)13-5-7-14-6-2-8-17(14,15)16/h1,3-4,9,13H,2,5-8H2
InChIKeyKCSHTXYELRDXAT-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.79
Rot. Bonds4

About 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline

3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline (PubChem CID 62566005) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline
PubChem CID62566005
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline
SMILESO=S1(=O)CCCN1CCNc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c12-10-3-1-4-11(9-10)13-5-7-14-6-2-8-17(14,15)16/h1,3-4,9,13H,2,5-8H2
InChIKeyKCSHTXYELRDXAT-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylaniline
CID 62565429
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine
CID 111640468
1-[(3-chlorophenyl)methyl]-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2-dimethylguanidine
CID 111305473
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
4-(3-chlorophenyl)-N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 111186948
3-chloro-N-[2-(3-methoxypiperidin-1-yl)ethyl]aniline
CID 102968345
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine
CID 71968315
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline
CID 63501829
1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 47086851
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline?
The IUPAC name of 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline (CID 62566005) is 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline.
What is the SMILES notation for 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline?
The canonical SMILES for 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline is O=S1(=O)CCCN1CCNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline?
The InChIKey is KCSHTXYELRDXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-10-3-1-4-11(9-10)13-5-7-14-6-2-8-17(14,15)16/h1,3-4,9,13H,2,5-8H2.
What are the key properties of 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline?
3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline has a molecular weight of 274.77 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline is sourced from PubChem (CID 62566005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).