1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C10H17N3OS — CID 81452795

IUPAC1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(C2(C)CCCS2)o1
InChIInChI=1S/C10H17N3OS/c1-3-7(11)8-12-13-9(14-8)10(2)5-4-6-15-10/h7H,3-6,11H2,1-2H3
InChIKeyXIDPTSBJPQCNFG-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.22
Rot. Bonds3

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

1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 81452795) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID81452795
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(C2(C)CCCS2)o1
InChIInChI=1S/C10H17N3OS/c1-3-7(11)8-12-13-9(14-8)10(2)5-4-6-15-10/h7H,3-6,11H2,1-2H3
InChIKeyXIDPTSBJPQCNFG-UHFFFAOYSA-N
XLogP2.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 81452795) is 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(C2(C)CCCS2)o1.
What is the InChIKey of 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is XIDPTSBJPQCNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-7(11)8-12-13-9(14-8)10(2)5-4-6-15-10/h7H,3-6,11H2,1-2H3.
What are the key properties of 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylthiolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 81452795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).