(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide

C13H24N2O2S — CID 143377798

IUPAC(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide
SMILESC/C=C\C(=C(\N=C\CC)C(C)CC)S(=O)(=O)NC
InChIInChI=1S/C13H24N2O2S/c1-6-9-12(18(16,17)14-5)13(11(4)8-3)15-10-7-2/h6,9-11,14H,7-8H2,1-5H3/b9-6-,13-12-,15-10+
InChIKeyQLUKYQVAXLSECE-DEYPIITBSA-N
MW272.41 g/mol
LogP2.85
Rot. Bonds7

About (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide

(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide (PubChem CID 143377798) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide.

Molecular Properties

Compound Name(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide
PubChem CID143377798
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide
SMILESC/C=C\C(=C(\N=C\CC)C(C)CC)S(=O)(=O)NC
InChIInChI=1S/C13H24N2O2S/c1-6-9-12(18(16,17)14-5)13(11(4)8-3)15-10-7-2/h6,9-11,14H,7-8H2,1-5H3/b9-6-,13-12-,15-10+
InChIKeyQLUKYQVAXLSECE-DEYPIITBSA-N
XLogP2.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4a,8a-dihydroquinoline-8-sulfonamide
CID 69915981
N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide
CID 123907841
(3E)-5-methylidene-6-(prop-1-en-2-yliminomethyl)hepta-1,3,6-triene-4-sulfonamide
CID 143030239
(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane
CID 143377797
(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide
CID 144546436

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide?
The IUPAC name of (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide (CID 143377798) is (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide.
What is the SMILES notation for (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide?
The canonical SMILES for (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide is C/C=C\C(=C(\N=C\CC)C(C)CC)S(=O)(=O)NC.
What is the InChIKey of (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide?
The InChIKey is QLUKYQVAXLSECE-DEYPIITBSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-6-9-12(18(16,17)14-5)13(11(4)8-3)15-10-7-2/h6,9-11,14H,7-8H2,1-5H3/b9-6-,13-12-,15-10+.
What are the key properties of (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide?
(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide has a molecular weight of 272.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide is sourced from PubChem (CID 143377798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).