N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine

C8H15N3O2S2 — CID 65271114

IUPACN-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C8H15N3O2S2/c1-3-4-7-10-8(14-11-7)9-5-6-15(2,12)13/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyQDXSPSFYFXUQQC-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.95
Rot. Bonds6

About N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine

N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271114) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65271114
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C8H15N3O2S2/c1-3-4-7-10-8(14-11-7)9-5-6-15(2,12)13/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyQDXSPSFYFXUQQC-UHFFFAOYSA-N
XLogP0.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 65271114) is N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCCS(C)(=O)=O)n1.
What is the InChIKey of N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is QDXSPSFYFXUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-3-4-7-10-8(14-11-7)9-5-6-15(2,12)13/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 249.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).