3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine

C8H15N3OS — CID 106394094

IUPAC3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
SMILESCCSCCCNCc1ncon1
InChIInChI=1S/C8H15N3OS/c1-2-13-5-3-4-9-6-8-10-7-12-11-8/h7,9H,2-6H2,1H3
InChIKeyAEZOZCYEUFRMFW-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.30
Rot. Bonds7

About 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine

3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine (PubChem CID 106394094) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
PubChem CID106394094
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
SMILESCCSCCCNCc1ncon1
InChIInChI=1S/C8H15N3OS/c1-2-13-5-3-4-9-6-8-10-7-12-11-8/h7,9H,2-6H2,1H3
InChIKeyAEZOZCYEUFRMFW-UHFFFAOYSA-N
XLogP1.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106396818
2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106398905
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106399365
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
CID 106398904
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
N-(1,2,4-oxadiazol-3-ylmethyl)-3-phenylprop-2-yn-1-amine
CID 106399101
N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395909
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816
N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
CID 106393163

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine (CID 106394094) is 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine is CCSCCCNCc1ncon1.
What is the InChIKey of 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
The InChIKey is AEZOZCYEUFRMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-13-5-3-4-9-6-8-10-7-12-11-8/h7,9H,2-6H2,1H3.
What are the key properties of 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine?
3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine has a molecular weight of 201.29 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106394094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).