3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

C9H17N3OS — CID 106396818

IUPAC3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCCSCCCNCCc1ncon1
InChIInChI=1S/C9H17N3OS/c1-2-14-7-3-5-10-6-4-9-11-8-13-12-9/h8,10H,2-7H2,1H3
InChIKeyOVDOHLDBBXYXOH-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.34
Rot. Bonds8

About 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (PubChem CID 106396818) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
PubChem CID106396818
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCCSCCCNCCc1ncon1
InChIInChI=1S/C9H17N3OS/c1-2-14-7-3-5-10-6-4-9-11-8-13-12-9/h8,10H,2-7H2,1H3
InChIKeyOVDOHLDBBXYXOH-UHFFFAOYSA-N
XLogP1.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.34
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-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
CID 106394094
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
N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401056
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 114184065
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816
tert-butyl N-[3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propyl]carbamate
CID 106396801
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine
CID 106396000
N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395909

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (CID 106396818) is 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is CCSCCCNCCc1ncon1.
What is the InChIKey of 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is OVDOHLDBBXYXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-14-7-3-5-10-6-4-9-11-8-13-12-9/h8,10H,2-7H2,1H3.
What are the key properties of 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106396818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).