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

C12H21NO2S — CID 167457768

IUPACN-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
SMILESC=C/C=C\C(=C/CC)CNS(=O)(=O)CCC
InChIInChI=1S/C12H21NO2S/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3/h4,7-9,13H,1,5-6,10-11H2,2-3H3/b9-7-,12-8+
InChIKeyIDCNAFZVEMFZNH-ZUQSVMQASA-N
MW243.37 g/mol
LogP2.39
Rot. Bonds8

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

N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide (PubChem CID 167457768) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
PubChem CID167457768
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
SMILESC=C/C=C\C(=C/CC)CNS(=O)(=O)CCC
InChIInChI=1S/C12H21NO2S/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3/h4,7-9,13H,1,5-6,10-11H2,2-3H3/b9-7-,12-8+
InChIKeyIDCNAFZVEMFZNH-ZUQSVMQASA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide
CID 143631327
5-methylocta-1,3,5-triene
CID 123706098
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
N-(3-methylbut-2-enyl)propane-1-sulfonamide
CID 103526911
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
CID 167457562
(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
CID 145089593
5-ethylsulfonylnona-1,3,5-triene
CID 91528996
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
[(2E,3Z)-2-[2-(methylamino)ethylidene]hexa-3,5-dienyl] methanesulfonate
CID 118592374
ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
CID 144641334
N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686

Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The IUPAC name of N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide (CID 167457768) is N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide is C=C/C=C\C(=C/CC)CNS(=O)(=O)CCC.
What is the InChIKey of N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide?
The InChIKey is IDCNAFZVEMFZNH-ZUQSVMQASA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-7-9-12(8-5-2)11-13-16(14,15)10-6-3/h4,7-9,13H,1,5-6,10-11H2,2-3H3/b9-7-,12-8+.
What are the key properties of N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide?
N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide has a molecular weight of 243.37 g/mol, XLogP of 2.39, 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-propylidenehexa-3,5-dienyl]propane-1-sulfonamide is sourced from PubChem (CID 167457768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).