(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide

C7H14N2O2S — CID 89034894

IUPAC(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide
SMILESCC/C(=C\C=C(/C)N)S(N)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-3-7(12(9,10)11)5-4-6(2)8/h4-5H,3,8H2,1-2H3,(H2,9,10,11)/b6-4+,7-5+
InChIKeyQPTSUWMYDULWKZ-YDFGWWAZSA-N
MW190.27 g/mol
LogP0.43
Rot. Bonds3

About (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide

(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide (PubChem CID 89034894) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide.

Molecular Properties

Compound Name(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide
PubChem CID89034894
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide
SMILESCC/C(=C\C=C(/C)N)S(N)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-3-7(12(9,10)11)5-4-6(2)8/h4-5H,3,8H2,1-2H3,(H2,9,10,11)/b6-4+,7-5+
InChIKeyQPTSUWMYDULWKZ-YDFGWWAZSA-N
XLogP0.43
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide
CID 134267842
ethyl (3E)-6-methylhepta-3,5-diene-3-sulfonate
CID 175637705
butan-2-one;sulfamic acid;hydrochloride
CID 161477888
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
4-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]sulfonylaniline
CID 139571336
(2E,4Z)-2-ethyl-1-N-[2-(ethylamino)ethyl]hexa-2,4-diene-1,5-diamine
CID 134406306
(2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide
CID 163421018
methanesulfonamide;propane
CID 158760342
ethanesulfonic acid;urea
CID 159375044
(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
CID 130203930
(Z)-but-2-enedioic acid;ethanesulfonamide
CID 174568618
4-aminohex-3-en-2-one
CID 57357968

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide?
The IUPAC name of (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide (CID 89034894) is (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide.
What is the SMILES notation for (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide?
The canonical SMILES for (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide is CC/C(=C\C=C(/C)N)S(N)(=O)=O.
What is the InChIKey of (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide?
The InChIKey is QPTSUWMYDULWKZ-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-3-7(12(9,10)11)5-4-6(2)8/h4-5H,3,8H2,1-2H3,(H2,9,10,11)/b6-4+,7-5+.
What are the key properties of (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide?
(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide is sourced from PubChem (CID 89034894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).