N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide

C12H19NO2S — CID 167457575

IUPACN-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide
SMILESC=C/C=C\C(=C/C=C)CNS(=O)(=O)CCC
InChIInChI=1S/C12H19NO2S/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3/h4-5,7-9,13H,1-2,6,10-11H2,3H3/b9-7-,12-8+
InChIKeyHMOBHVPKTMROPE-ZUQSVMQASA-N
MW241.36 g/mol
LogP2.17
Rot. Bonds8

About N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide

N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide (PubChem CID 167457575) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide
PubChem CID167457575
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide
SMILESC=C/C=C\C(=C/C=C)CNS(=O)(=O)CCC
InChIInChI=1S/C12H19NO2S/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3/h4-5,7-9,13H,1-2,6,10-11H2,3H3/b9-7-,12-8+
InChIKeyHMOBHVPKTMROPE-ZUQSVMQASA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.17
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 N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The IUPAC name of N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide (CID 167457575) is N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide is C=C/C=C\C(=C/C=C)CNS(=O)(=O)CCC.
What is the InChIKey of N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The InChIKey is HMOBHVPKTMROPE-ZUQSVMQASA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3/h4-5,7-9,13H,1-2,6,10-11H2,3H3/b9-7-,12-8+.
What are the key properties of N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide?
N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide is sourced from PubChem (CID 167457575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).