N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide

C11H19NO2S — CID 138617159

IUPACN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide
SMILESC/C=C\C=C(/C=C\C)NS(=O)(=O)C(C)C
InChIInChI=1S/C11H19NO2S/c1-5-7-9-11(8-6-2)12-15(13,14)10(3)4/h5-10,12H,1-4H3/b7-5-,8-6-,11-9+
InChIKeyRJIUOVLYIUPRGF-JDDXFTJCSA-N
MW229.34 g/mol
LogP2.35
Rot. Bonds5

About N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide

N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide (PubChem CID 138617159) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide
PubChem CID138617159
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide
SMILESC/C=C\C=C(/C=C\C)NS(=O)(=O)C(C)C
InChIInChI=1S/C11H19NO2S/c1-5-7-9-11(8-6-2)12-15(13,14)10(3)4/h5-10,12H,1-4H3/b7-5-,8-6-,11-9+
InChIKeyRJIUOVLYIUPRGF-JDDXFTJCSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide with MolForge

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Related Compounds

N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide
CID 123850341
N-cyclohexa-1,5-dien-1-ylethanesulfonamide
CID 22261328
(2Z,4E)-4-aminohexa-2,4-diene-1-sulfonamide
CID 89034900
N-[(3E)-penta-1,3-dien-3-yl]propane-2-sulfinamide
CID 89073773
(2Z,4E)-5-aminohexa-2,4-diene-1-sulfonamide
CID 89125923
(2E,4Z,6E)-6-amino-2-methylocta-2,4,6-triene-1-sulfonamide
CID 89234606
N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide
CID 89386130
3-methyl-2H-thiazine 1,1-dioxide
CID 89687642
N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide
CID 90061350
(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid
CID 90346906
N-penta-1,3-dien-2-ylethanesulfonamide
CID 90943645
N-penta-2,4-dien-2-ylpropane-1-sulfonamide
CID 123696250

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide (CID 138617159) is N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide is C/C=C\C=C(/C=C\C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide?
The InChIKey is RJIUOVLYIUPRGF-JDDXFTJCSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-5-7-9-11(8-6-2)12-15(13,14)10(3)4/h5-10,12H,1-4H3/b7-5-,8-6-,11-9+.
What are the key properties of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide?
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide has a molecular weight of 229.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide is sourced from PubChem (CID 138617159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).