ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide

C14H27NO2S — CID 167457767

IUPACethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
SMILESC=C/C=C\C(=C/CC)CNS(=O)(=O)CCC.CC
InChIInChI=1S/C12H21NO2S.C2H6/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3;1-2/h4,7-9,13H,1,5-6,10-11H2,2-3H3;1-2H3/b9-7-,12-8+;
InChIKeyONAITOYQMCBKIO-CNSJPFLBSA-N
MW273.44 g/mol
LogP3.42
Rot. Bonds8

About ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide

ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide (PubChem CID 167457767) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide.

Molecular Properties

Compound Nameethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
PubChem CID167457767
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Nameethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
SMILESC=C/C=C\C(=C/CC)CNS(=O)(=O)CCC.CC
InChIInChI=1S/C12H21NO2S.C2H6/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3;1-2/h4,7-9,13H,1,5-6,10-11H2,2-3H3;1-2H3/b9-7-,12-8+;
InChIKeyONAITOYQMCBKIO-CNSJPFLBSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.42
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;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The IUPAC name of ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide (CID 167457767) is ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide.
What is the SMILES notation for ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The canonical SMILES for ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide is C=C/C=C\C(=C/CC)CNS(=O)(=O)CCC.CC.
What is the InChIKey of ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The InChIKey is ONAITOYQMCBKIO-CNSJPFLBSA-N. The full InChI is InChI=1S/C12H21NO2S.C2H6/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3;1-2/h4,7-9,13H,1,5-6,10-11H2,2-3H3;1-2H3/b9-7-,12-8+;.
What are the key properties of ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide?
ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide has a molecular weight of 273.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide is sourced from PubChem (CID 167457767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).