(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine

C8H13N3OS — CID 931660

IUPAC(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESC=C(C)CSc1nnc([C@H](C)N)o1
InChIInChI=1S/C8H13N3OS/c1-5(2)4-13-8-11-10-7(12-8)6(3)9/h6H,1,4,9H2,2-3H3/t6-/m0/s1
InChIKeyGCZMOBCEGKUKNR-LURJTMIESA-N
MW199.28 g/mol
LogP1.76
Rot. Bonds4

About (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine

(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 931660) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID931660
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESC=C(C)CSc1nnc([C@H](C)N)o1
InChIInChI=1S/C8H13N3OS/c1-5(2)4-13-8-11-10-7(12-8)6(3)9/h6H,1,4,9H2,2-3H3/t6-/m0/s1
InChIKeyGCZMOBCEGKUKNR-LURJTMIESA-N
XLogP1.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 931660) is (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine is C=C(C)CSc1nnc([C@H](C)N)o1.
What is the InChIKey of (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is GCZMOBCEGKUKNR-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(2)4-13-8-11-10-7(12-8)6(3)9/h6H,1,4,9H2,2-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine?
(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 199.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 931660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).