2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine

C8H13N3OS — CID 61495568

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine
SMILESNCCSCc1noc(C2CC2)n1
InChIInChI=1S/C8H13N3OS/c9-3-4-13-5-7-10-8(12-11-7)6-1-2-6/h6H,1-5,9H2
InChIKeyAOEOUHWUGPEDBD-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.14
Rot. Bonds5

About 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine (PubChem CID 61495568) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine
PubChem CID61495568
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine
SMILESNCCSCc1noc(C2CC2)n1
InChIInChI=1S/C8H13N3OS/c9-3-4-13-5-7-10-8(12-11-7)6-1-2-6/h6H,1-5,9H2
InChIKeyAOEOUHWUGPEDBD-UHFFFAOYSA-N
XLogP1.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.14
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

4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65131053
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65129781
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 65129910
ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
CID 60564844
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 65129428
N-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65137412
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
N-methyl-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351991
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 65137410
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030405

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine (CID 61495568) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine is NCCSCc1noc(C2CC2)n1.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine?
The InChIKey is AOEOUHWUGPEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c9-3-4-13-5-7-10-8(12-11-7)6-1-2-6/h6H,1-5,9H2.
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine has a molecular weight of 199.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine is sourced from PubChem (CID 61495568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).