5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole

C8H13ClN2O2S2 — CID 66126576

IUPAC5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(S(=O)(=O)CCCCl)n1
InChIInChI=1S/C8H13ClN2O2S2/c1-6(2)7-10-8(14-11-7)15(12,13)5-3-4-9/h6H,3-5H2,1-2H3
InChIKeyFTTVIZIAPCHVJE-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.06
Rot. Bonds5

About 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole

5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 66126576) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID66126576
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC Name5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(S(=O)(=O)CCCCl)n1
InChIInChI=1S/C8H13ClN2O2S2/c1-6(2)7-10-8(14-11-7)15(12,13)5-3-4-9/h6H,3-5H2,1-2H3
InChIKeyFTTVIZIAPCHVJE-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-chloropropylsulfonyl)-3-propan-2-yl-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

N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
2-(3-chloropropylsulfonyl)-1,3-thiazole
CID 66125929
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
CID 65274915
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride
CID 65274799
5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole
CID 66104251
3-propan-2-yl-1,2,4-thiadiazole-5-carboxylic acid
CID 23365085
N-(4-methylsulfonylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133386781
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfonyl]ethanesulfonyl chloride
CID 65274744
3,5-di(propan-2-yl)-1,2,4-thiadiazole
CID 167579429
3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butan-2-one
CID 65280720
1-(3-chloropropylsulfonyl)-4-(2-methylpropyl)benzene
CID 93189797
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole (CID 66126576) is 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(S(=O)(=O)CCCCl)n1.
What is the InChIKey of 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is FTTVIZIAPCHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-6(2)7-10-8(14-11-7)15(12,13)5-3-4-9/h6H,3-5H2,1-2H3.
What are the key properties of 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole?
5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 268.79 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropylsulfonyl)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 66126576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).