2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C10H17N3OS — CID 3520632

IUPAC2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESC=C(C)CSc1nnc(C(N)C(C)C)o1
InChIInChI=1S/C10H17N3OS/c1-6(2)5-15-10-13-12-9(14-10)8(11)7(3)4/h7-8H,1,5,11H2,2-4H3
InChIKeyKFFZVSQEVCJQNQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 3520632) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID3520632
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESC=C(C)CSc1nnc(C(N)C(C)C)o1
InChIInChI=1S/C10H17N3OS/c1-6(2)5-15-10-13-12-9(14-10)8(11)7(3)4/h7-8H,1,5,11H2,2-4H3
InChIKeyKFFZVSQEVCJQNQ-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.39
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 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 3520632) is 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is C=C(C)CSc1nnc(C(N)C(C)C)o1.
What is the InChIKey of 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is KFFZVSQEVCJQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)5-15-10-13-12-9(14-10)8(11)7(3)4/h7-8H,1,5,11H2,2-4H3.
What are the key properties of 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 3520632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).