(3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide

C8H14N2O2S — CID 88992621

IUPAC(3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide
SMILESC=C/C(=C\C=C/N)S(=O)(=O)NCC
InChIInChI=1S/C8H14N2O2S/c1-3-8(6-5-7-9)13(11,12)10-4-2/h3,5-7,10H,1,4,9H2,2H3/b7-5-,8-6+
InChIKeyMVOYDPRYEBRAKH-CGXWXWIYSA-N
MW202.28 g/mol
LogP0.47
Rot. Bonds5

About (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide

(3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide (PubChem CID 88992621) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide
PubChem CID88992621
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name(3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide
SMILESC=C/C(=C\C=C/N)S(=O)(=O)NCC
InChIInChI=1S/C8H14N2O2S/c1-3-8(6-5-7-9)13(11,12)10-4-2/h3,5-7,10H,1,4,9H2,2H3/b7-5-,8-6+
InChIKeyMVOYDPRYEBRAKH-CGXWXWIYSA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide?
The IUPAC name of (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide (CID 88992621) is (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide.
What is the SMILES notation for (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide?
The canonical SMILES for (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide is C=C/C(=C\C=C/N)S(=O)(=O)NCC.
What is the InChIKey of (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide?
The InChIKey is MVOYDPRYEBRAKH-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-8(6-5-7-9)13(11,12)10-4-2/h3,5-7,10H,1,4,9H2,2H3/b7-5-,8-6+.
What are the key properties of (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide?
(3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-amino-N-ethylhexa-1,3,5-triene-3-sulfonamide is sourced from PubChem (CID 88992621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).