(1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide

C6H10N2O2S — CID 89143646

IUPAC(1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide
SMILESC=C/C=C(\C=C/N)S(N)(=O)=O
InChIInChI=1S/C6H10N2O2S/c1-2-3-6(4-5-7)11(8,9)10/h2-5H,1,7H2,(H2,8,9,10)/b5-4-,6-3+
InChIKeyNTJRLKNDYBEBPI-XNYOYJNRSA-N
MW174.23 g/mol
LogP-0.18
Rot. Bonds3

About (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide

(1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide (PubChem CID 89143646) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide.

Molecular Properties

Compound Name(1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide
PubChem CID89143646
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name(1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide
SMILESC=C/C=C(\C=C/N)S(N)(=O)=O
InChIInChI=1S/C6H10N2O2S/c1-2-3-6(4-5-7)11(8,9)10/h2-5H,1,7H2,(H2,8,9,10)/b5-4-,6-3+
InChIKeyNTJRLKNDYBEBPI-XNYOYJNRSA-N
XLogP-0.18
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.18
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 (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide?
The IUPAC name of (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide (CID 89143646) is (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide.
What is the SMILES notation for (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide?
The canonical SMILES for (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide is C=C/C=C(\C=C/N)S(N)(=O)=O.
What is the InChIKey of (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide?
The InChIKey is NTJRLKNDYBEBPI-XNYOYJNRSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-3-6(4-5-7)11(8,9)10/h2-5H,1,7H2,(H2,8,9,10)/b5-4-,6-3+.
What are the key properties of (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide?
(1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide has a molecular weight of 174.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-aminohexa-1,3,5-triene-3-sulfonamide is sourced from PubChem (CID 89143646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).