2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine

C11H19N3OS2 — CID 113449572

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCCc1nsc(SCC(NC)C2CCOC2)n1
InChIInChI=1S/C11H19N3OS2/c1-3-10-13-11(17-14-10)16-7-9(12-2)8-4-5-15-6-8/h8-9,12H,3-7H2,1-2H3
InChIKeyYMVJDLQDZTUKNS-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.82
Rot. Bonds6

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 113449572) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID113449572
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCCc1nsc(SCC(NC)C2CCOC2)n1
InChIInChI=1S/C11H19N3OS2/c1-3-10-13-11(17-14-10)16-7-9(12-2)8-4-5-15-6-8/h8-9,12H,3-7H2,1-2H3
InChIKeyYMVJDLQDZTUKNS-UHFFFAOYSA-N
XLogP1.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
CID 104755981
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
CID 65129261
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755328
2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136913789
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768
N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
CID 104755502
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine (CID 113449572) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine is CCc1nsc(SCC(NC)C2CCOC2)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is YMVJDLQDZTUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-3-10-13-11(17-14-10)16-7-9(12-2)8-4-5-15-6-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 273.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113449572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).