5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine

C11H22N4OS — CID 106961680

IUPAC5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCSCCCNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H22N4OS/c1-11(2,3)13-8-9-14-15-10(16-9)12-6-5-7-17-4/h13H,5-8H2,1-4H3,(H,12,15)
InChIKeyDUHIIFKACRVFIO-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.12
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961680) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961680
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC Name5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCSCCCNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H22N4OS/c1-11(2,3)13-8-9-14-15-10(16-9)12-6-5-7-17-4/h13H,5-8H2,1-4H3,(H,12,15)
InChIKeyDUHIIFKACRVFIO-UHFFFAOYSA-N
XLogP2.12
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine (CID 106961680) is 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine is CSCCCNc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DUHIIFKACRVFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c1-11(2,3)13-8-9-14-15-10(16-9)12-6-5-7-17-4/h13H,5-8H2,1-4H3,(H,12,15).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 258.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).