(2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide

C6H12N2O2S — CID 130391754

IUPAC(2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide
SMILESC/C=C(\C=C/CN)S(N)(=O)=O
InChIInChI=1S/C6H12N2O2S/c1-2-6(4-3-5-7)11(8,9)10/h2-4H,5,7H2,1H3,(H2,8,9,10)/b4-3-,6-2+
InChIKeyOHAGXNQPLSIJIS-FSEBUJBSSA-N
MW176.24 g/mol
LogP-0.31
Rot. Bonds3

About (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide

(2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide (PubChem CID 130391754) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide.

Molecular Properties

Compound Name(2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide
PubChem CID130391754
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name(2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide
SMILESC/C=C(\C=C/CN)S(N)(=O)=O
InChIInChI=1S/C6H12N2O2S/c1-2-6(4-3-5-7)11(8,9)10/h2-4H,5,7H2,1H3,(H2,8,9,10)/b4-3-,6-2+
InChIKeyOHAGXNQPLSIJIS-FSEBUJBSSA-N
XLogP-0.31
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.31
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 (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide?
The IUPAC name of (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide (CID 130391754) is (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide.
What is the SMILES notation for (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide?
The canonical SMILES for (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide is C/C=C(\C=C/CN)S(N)(=O)=O.
What is the InChIKey of (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide?
The InChIKey is OHAGXNQPLSIJIS-FSEBUJBSSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-2-6(4-3-5-7)11(8,9)10/h2-4H,5,7H2,1H3,(H2,8,9,10)/b4-3-,6-2+.
What are the key properties of (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide?
(2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide has a molecular weight of 176.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-aminohexa-2,4-diene-3-sulfonamide is sourced from PubChem (CID 130391754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).