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

C14H24N6O2S2 — CID 90193577

IUPAC(1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(C)c1nc([C@@H](N)CSSC[C@H](N)c2noc(C(C)C)n2)no1
InChIInChI=1S/C14H24N6O2S2/c1-7(2)13-17-11(19-21-13)9(15)5-23-24-6-10(16)12-18-14(8(3)4)22-20-12/h7-10H,5-6,15-16H2,1-4H3/t9-,10-/m0/s1
InChIKeyGKQVFHOZBCMRGH-UWVGGRQHSA-N
MW372.52 g/mol
LogP2.78
Rot. Bonds9

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

(1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 90193577) has the molecular formula C14H24N6O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is (1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID90193577
Molecular FormulaC14H24N6O2S2
Molecular Weight372.52 g/mol
Exact Mass372.14
IUPAC Name(1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(C)c1nc([C@@H](N)CSSC[C@H](N)c2noc(C(C)C)n2)no1
InChIInChI=1S/C14H24N6O2S2/c1-7(2)13-17-11(19-21-13)9(15)5-23-24-6-10(16)12-18-14(8(3)4)22-20-12/h7-10H,5-6,15-16H2,1-4H3/t9-,10-/m0/s1
InChIKeyGKQVFHOZBCMRGH-UWVGGRQHSA-N
XLogP2.78
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.78
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-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of (1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine (CID 90193577) is (1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for (1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for (1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine is CC(C)c1nc([C@@H](N)CSSC[C@H](N)c2noc(C(C)C)n2)no1.
What is the InChIKey of (1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is GKQVFHOZBCMRGH-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H24N6O2S2/c1-7(2)13-17-11(19-21-13)9(15)5-23-24-6-10(16)12-18-14(8(3)4)22-20-12/h7-10H,5-6,15-16H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine?
(1R)-2-[[(2R)-2-amino-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 372.52 g/mol, XLogP of 2.78, 9 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-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]disulfanyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 90193577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).