5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole

C8H13ClN2O2S2 — CID 66104251

IUPAC5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(S(=O)(=O)CC(C)CCl)n1
InChIInChI=1S/C8H13ClN2O2S2/c1-3-7-10-8(14-11-7)15(12,13)5-6(2)4-9/h6H,3-5H2,1-2H3
InChIKeyQDUWCHNKANIUNU-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.75
Rot. Bonds5

About 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole

5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole (PubChem CID 66104251) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole
PubChem CID66104251
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC Name5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(S(=O)(=O)CC(C)CCl)n1
InChIInChI=1S/C8H13ClN2O2S2/c1-3-7-10-8(14-11-7)15(12,13)5-6(2)4-9/h6H,3-5H2,1-2H3
InChIKeyQDUWCHNKANIUNU-UHFFFAOYSA-N
XLogP1.75
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole 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

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride
CID 65274799
4-chloro-2-(3-chloro-2-methylpropyl)sulfonyl-1,3-thiazole
CID 83156023
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
CID 10375280
2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine
CID 66105799
1-(3-chloro-2-methylpropyl)sulfonyl-2,3,4,5,6-pentafluorobenzene
CID 66103140
5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole
CID 66126576
2-(3-chloro-2-methylpropyl)sulfonyl-6-ethoxypyridine
CID 66106022
2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine
CID 66103136
5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1-methyl-4-nitropyrazole
CID 66102682
4-(3-chloro-2-methylpropyl)sulfonyl-5,6-dimethylthieno[2,3-d]pyrimidine
CID 66104694
6-(3-chloro-2-methylpropyl)sulfonylpyridine-2-carbonitrile
CID 66103357
3-chloro-2-methyl-N-(thiatriazol-5-yl)propane-1-sulfonamide
CID 114913712

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole (CID 66104251) is 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole is CCc1nsc(S(=O)(=O)CC(C)CCl)n1.
What is the InChIKey of 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole?
The InChIKey is QDUWCHNKANIUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-3-7-10-8(14-11-7)15(12,13)5-6(2)4-9/h6H,3-5H2,1-2H3.
What are the key properties of 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole?
5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole has a molecular weight of 268.79 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 66104251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).