1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione

C10H12ClN3O2S — CID 62933264

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2nnsc2Cl)C(=O)C1
InChIInChI=1S/C10H12ClN3O2S/c1-10(2)3-7(15)14(8(16)4-10)5-6-9(11)17-13-12-6/h3-5H2,1-2H3
InChIKeyGWYJIZWUUIGMAI-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.87
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione

1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 62933264) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID62933264
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2nnsc2Cl)C(=O)C1
InChIInChI=1S/C10H12ClN3O2S/c1-10(2)3-7(15)14(8(16)4-10)5-6-9(11)17-13-12-6/h3-5H2,1-2H3
InChIKeyGWYJIZWUUIGMAI-UHFFFAOYSA-N
XLogP1.87
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione (CID 62933264) is 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(Cc2nnsc2Cl)C(=O)C1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is GWYJIZWUUIGMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-10(2)3-7(15)14(8(16)4-10)5-6-9(11)17-13-12-6/h3-5H2,1-2H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 273.75 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 62933264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).