ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide

C12H21NO2S — CID 164860197

IUPACethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C/C=C)S(=O)(=O)NCC.CC
InChIInChI=1S/C10H15NO2S.C2H6/c1-4-7-9-10(8-5-2)14(12,13)11-6-3;1-2/h4-5,7-9,11H,1-2,6H2,3H3;1-2H3/b9-7-,10-8+;
InChIKeyUWURDVZYEHLNMC-OMINISFASA-N
MW243.37 g/mol
LogP2.76
Rot. Bonds6

About ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide

ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide (PubChem CID 164860197) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide.

Molecular Properties

Compound Nameethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide
PubChem CID164860197
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Nameethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C/C=C)S(=O)(=O)NCC.CC
InChIInChI=1S/C10H15NO2S.C2H6/c1-4-7-9-10(8-5-2)14(12,13)11-6-3;1-2/h4-5,7-9,11H,1-2,6H2,3H3;1-2H3/b9-7-,10-8+;
InChIKeyUWURDVZYEHLNMC-OMINISFASA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.76
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 ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide?
The IUPAC name of ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide (CID 164860197) is ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide.
What is the SMILES notation for ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide?
The canonical SMILES for ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide is C=C/C=C\C(=C/C=C)S(=O)(=O)NCC.CC.
What is the InChIKey of ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide?
The InChIKey is UWURDVZYEHLNMC-OMINISFASA-N. The full InChI is InChI=1S/C10H15NO2S.C2H6/c1-4-7-9-10(8-5-2)14(12,13)11-6-3;1-2/h4-5,7-9,11H,1-2,6H2,3H3;1-2H3/b9-7-,10-8+;.
What are the key properties of ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide?
ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide has a molecular weight of 243.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-N-ethylocta-1,3,5,7-tetraene-4-sulfonamide is sourced from PubChem (CID 164860197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).