(3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide

C10H17NO2S — CID 90058003

IUPAC(3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide
SMILESC=C/C=C\C(=C/C(C)C)S(=O)(=O)NC
InChIInChI=1S/C10H17NO2S/c1-5-6-7-10(8-9(2)3)14(12,13)11-4/h5-9,11H,1H2,2-4H3/b7-6-,10-8+
InChIKeyCKIGRRMVCKOHLD-VAAURPRASA-N
MW215.32 g/mol
LogP1.82
Rot. Bonds5

About (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide

(3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide (PubChem CID 90058003) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide
PubChem CID90058003
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name(3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide
SMILESC=C/C=C\C(=C/C(C)C)S(=O)(=O)NC
InChIInChI=1S/C10H17NO2S/c1-5-6-7-10(8-9(2)3)14(12,13)11-4/h5-9,11H,1H2,2-4H3/b7-6-,10-8+
InChIKeyCKIGRRMVCKOHLD-VAAURPRASA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.82
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 (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide?
The IUPAC name of (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide (CID 90058003) is (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide.
What is the SMILES notation for (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide?
The canonical SMILES for (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide is C=C/C=C\C(=C/C(C)C)S(=O)(=O)NC.
What is the InChIKey of (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide?
The InChIKey is CKIGRRMVCKOHLD-VAAURPRASA-N. The full InChI is InChI=1S/C10H17NO2S/c1-5-6-7-10(8-9(2)3)14(12,13)11-4/h5-9,11H,1H2,2-4H3/b7-6-,10-8+.
What are the key properties of (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide?
(3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide has a molecular weight of 215.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide is sourced from PubChem (CID 90058003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).