3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione

C10H11ClN2O2S — CID 175831682

IUPAC3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione
SMILESCN(c1ccc(Cl)s1)C1CCC(=O)NC1=O
InChIInChI=1S/C10H11ClN2O2S/c1-13(9-5-3-7(11)16-9)6-2-4-8(14)12-10(6)15/h3,5-6H,2,4H2,1H3,(H,12,14,15)
InChIKeyGTQXKAJHCFZUJY-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.64
Rot. Bonds2

About 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione

3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione (PubChem CID 175831682) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione
PubChem CID175831682
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione
SMILESCN(c1ccc(Cl)s1)C1CCC(=O)NC1=O
InChIInChI=1S/C10H11ClN2O2S/c1-13(9-5-3-7(11)16-9)6-2-4-8(14)12-10(6)15/h3,5-6H,2,4H2,1H3,(H,12,14,15)
InChIKeyGTQXKAJHCFZUJY-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-Chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101440
1-(5-Chlorothiophen-2-yl)-3-(methylamino)pyrrolidin-2-one
CID 53767482
(3S)-3-[4-(5-chlorothiophen-2-yl)-2-methylpiperazine-1-carbonyl]-N-hydroxypentanamide;ethane
CID 143172609
N-(5-chlorothiophen-2-yl)-N-(2,6-dioxopiperidin-3-yl)pentanamide
CID 156408855
N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetamide
CID 156408867
tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)amino]thiophen-2-yl]carbamate
CID 167247841
3-[(5-Iodothiophen-2-yl)amino]piperidine-2,6-dione
CID 169878091
1-(5-Chlorothiophen-2-yl)piperazin-2-one
CID 83705092
1-(5-Chlorothiophen-2-yl)-3-methylpiperazin-2-one
CID 83711932
1-(5-Chlorothiophen-2-yl)-3-methyl-1,4-diazepan-2-one
CID 115102062
2-amino-N-(5-chlorothiophen-2-yl)-N-methylpropanamide
CID 115152275
4-amino-N-(5-chlorothiophen-2-yl)pentanamide
CID 115156541

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione (CID 175831682) is 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione is CN(c1ccc(Cl)s1)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione?
The InChIKey is GTQXKAJHCFZUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-13(9-5-3-7(11)16-9)6-2-4-8(14)12-10(6)15/h3,5-6H,2,4H2,1H3,(H,12,14,15).
What are the key properties of 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione?
3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione has a molecular weight of 258.73 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione is sourced from PubChem (CID 175831682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).