2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide

C13H24N2OS — CID 89159480

IUPAC2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide
SMILESCSC(N)C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H24N2OS/c1-10(2)6-5-7-11(3)8-9-15-13(16)12(14)17-4/h6,8,12H,5,7,9,14H2,1-4H3,(H,15,16)/b11-8+
InChIKeyMYRXLPOJOFUBSS-DHZHZOJOSA-N
MW256.41 g/mol
LogP2.44
Rot. Bonds7

About 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide

2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide (PubChem CID 89159480) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide
PubChem CID89159480
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide
SMILESCSC(N)C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H24N2OS/c1-10(2)6-5-7-11(3)8-9-15-13(16)12(14)17-4/h6,8,12H,5,7,9,14H2,1-4H3,(H,15,16)/b11-8+
InChIKeyMYRXLPOJOFUBSS-DHZHZOJOSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide?
The IUPAC name of 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide (CID 89159480) is 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide.
What is the SMILES notation for 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide?
The canonical SMILES for 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide is CSC(N)C(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide?
The InChIKey is MYRXLPOJOFUBSS-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(2)6-5-7-11(3)8-9-15-13(16)12(14)17-4/h6,8,12H,5,7,9,14H2,1-4H3,(H,15,16)/b11-8+.
What are the key properties of 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide?
2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide has a molecular weight of 256.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 89159480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).