3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine

C7H13N3O2S2 — CID 65268266

IUPAC3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C7H13N3O2S2/c1-6-9-7(13-10-6)8-4-3-5-14(2,11)12/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyWVAPDCPGEFIMHU-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.69
Rot. Bonds5

About 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268266) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268266
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C7H13N3O2S2/c1-6-9-7(13-10-6)8-4-3-5-14(2,11)12/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyWVAPDCPGEFIMHU-UHFFFAOYSA-N
XLogP0.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268266) is 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCCS(C)(=O)=O)n1.
What is the InChIKey of 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WVAPDCPGEFIMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-6-9-7(13-10-6)8-4-3-5-14(2,11)12/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 235.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).