(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine

C15H20N2O2S — CID 126542493

IUPAC(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine
SMILESC=C/C=C(\C=C/C(=C)N)S(=O)(=O)C(/C=C\C(=C)N)=C/C
InChIInChI=1S/C15H20N2O2S/c1-5-7-15(11-9-13(4)17)20(18,19)14(6-2)10-8-12(3)16/h5-11H,1,3-4,16-17H2,2H3/b10-8-,11-9-,14-6+,15-7+
InChIKeyGFTWLYPDPIZGKA-NKZNPBJRSA-N
MW292.40 g/mol
LogP2.43
Rot. Bonds7

About (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine

(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine (PubChem CID 126542493) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine
PubChem CID126542493
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine
SMILESC=C/C=C(\C=C/C(=C)N)S(=O)(=O)C(/C=C\C(=C)N)=C/C
InChIInChI=1S/C15H20N2O2S/c1-5-7-15(11-9-13(4)17)20(18,19)14(6-2)10-8-12(3)16/h5-11H,1,3-4,16-17H2,2H3/b10-8-,11-9-,14-6+,15-7+
InChIKeyGFTWLYPDPIZGKA-NKZNPBJRSA-N
XLogP2.43
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-5-[(3E,5E)-6-aminohepta-1,3,5-trien-4-yl]sulfonylocta-1,3,5,7-tetraen-3-amine
CID 126759027
(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide
CID 134250636
N-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]sulfonylhexa-1,3,5-trien-2-yl]methanesulfonamide
CID 134268137
(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide
CID 137466868
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide
CID 138617159
(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 139472807
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 139472808
ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene
CID 142046519
(3E)-4-amino-N-[(E)-but-2-en-2-yl]hexa-1,3,5-triene-2-sulfonamide;prop-1-ene
CID 143596799
(3E)-4-methylsulfonylhexa-1,3,5-trien-2-amine
CID 145243872
(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-trien-2-amine
CID 146220773
(2E,4Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]hepta-2,4,6-triene-3-sulfonamide
CID 156119854

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine?
The IUPAC name of (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine (CID 126542493) is (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine.
What is the SMILES notation for (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine?
The canonical SMILES for (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine is C=C/C=C(\C=C/C(=C)N)S(=O)(=O)C(/C=C\C(=C)N)=C/C.
What is the InChIKey of (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine?
The InChIKey is GFTWLYPDPIZGKA-NKZNPBJRSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-5-7-15(11-9-13(4)17)20(18,19)14(6-2)10-8-12(3)16/h5-11H,1,3-4,16-17H2,2H3/b10-8-,11-9-,14-6+,15-7+.
What are the key properties of (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine?
(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine has a molecular weight of 292.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine is sourced from PubChem (CID 126542493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).