2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine

C8H15NOS — CID 142099396

IUPAC2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine
SMILESC/C=C\C=C/CS(=O)CCN
InChIInChI=1S/C8H15NOS/c1-2-3-4-5-7-11(10)8-6-9/h2-5H,6-9H2,1H3/b3-2-,5-4-
InChIKeyVAHICKDTOOMFHR-LDIADDGTSA-N
MW173.28 g/mol
LogP0.83
Rot. Bonds5

About 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine

2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine (PubChem CID 142099396) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine.

Molecular Properties

Compound Name2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine
PubChem CID142099396
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine
SMILESC/C=C\C=C/CS(=O)CCN
InChIInChI=1S/C8H15NOS/c1-2-3-4-5-7-11(10)8-6-9/h2-5H,6-9H2,1H3/b3-2-,5-4-
InChIKeyVAHICKDTOOMFHR-LDIADDGTSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine?
The IUPAC name of 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine (CID 142099396) is 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine.
What is the SMILES notation for 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine?
The canonical SMILES for 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine is C/C=C\C=C/CS(=O)CCN.
What is the InChIKey of 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine?
The InChIKey is VAHICKDTOOMFHR-LDIADDGTSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-3-4-5-7-11(10)8-6-9/h2-5H,6-9H2,1H3/b3-2-,5-4-.
What are the key properties of 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine?
2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine has a molecular weight of 173.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine is sourced from PubChem (CID 142099396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).