(1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C10H16N6O2S2 — CID 59200550

IUPAC(1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc([C@@H](N)CSSC[C@H](N)c2nc(C)no2)n1
InChIInChI=1S/C10H16N6O2S2/c1-5-13-9(17-15-5)7(11)3-19-20-4-8(12)10-14-6(2)16-18-10/h7-8H,3-4,11-12H2,1-2H3/t7-,8-/m0/s1
InChIKeyZTKJMLCUDUKZPQ-YUMQZZPRSA-N
MW316.41 g/mol
LogP1.15
Rot. Bonds7

About (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

(1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 59200550) has the molecular formula C10H16N6O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID59200550
Molecular FormulaC10H16N6O2S2
Molecular Weight316.41 g/mol
Exact Mass316.08
IUPAC Name(1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc([C@@H](N)CSSC[C@H](N)c2nc(C)no2)n1
InChIInChI=1S/C10H16N6O2S2/c1-5-13-9(17-15-5)7(11)3-19-20-4-8(12)10-14-6(2)16-18-10/h7-8H,3-4,11-12H2,1-2H3/t7-,8-/m0/s1
InChIKeyZTKJMLCUDUKZPQ-YUMQZZPRSA-N
XLogP1.15
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 59200550) is (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc([C@@H](N)CSSC[C@H](N)c2nc(C)no2)n1.
What is the InChIKey of (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is ZTKJMLCUDUKZPQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16N6O2S2/c1-5-13-9(17-15-5)7(11)3-19-20-4-8(12)10-14-6(2)16-18-10/h7-8H,3-4,11-12H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
(1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 316.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-2-amino-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]disulfanyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 59200550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).