(2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide

C7H14N2O2S — CID 163421018

IUPAC(2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide
SMILESC/C=C(N)\C=C(/C)CS(N)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-3-7(8)4-6(2)5-12(9,10)11/h3-4H,5,8H2,1-2H3,(H2,9,10,11)/b6-4+,7-3+
InChIKeyAILXCDPNCUPTMJ-DVFLZCIWSA-N
MW190.27 g/mol
LogP0.08
Rot. Bonds3

About (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide

(2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide (PubChem CID 163421018) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name(2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide
PubChem CID163421018
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide
SMILESC/C=C(N)\C=C(/C)CS(N)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-3-7(8)4-6(2)5-12(9,10)11/h3-4H,5,8H2,1-2H3,(H2,9,10,11)/b6-4+,7-3+
InChIKeyAILXCDPNCUPTMJ-DVFLZCIWSA-N
XLogP0.08
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 ≤ 50.08
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

(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol
CID 129092981
(2E)-5-ethylhepta-2,4-dien-3-amine
CID 167246205
(Z)-3-(2-amino-4-methyl-3-pyridinyl)-2-methylprop-2-ene-1-sulfonamide
CID 142943354
(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
CID 134214023
(E)-2,3-dichloroprop-2-ene-1-sulfonamide
CID 139720182
N-tert-butyl-N-methyl-2-sulfamoylacetamide
CID 139520568
(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide
CID 89034894
(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide
CID 55301289
ethyl 2-sulfamoylacetate;hydrochloride
CID 141070961
4-[(2-amino-2-oxoethyl)-methylamino]-3-methylbut-2-enoic acid
CID 77006189
(Z)-but-2-enedioic acid;ethanesulfonamide
CID 174568618
methanesulfonamide;propan-2-one
CID 158339378

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide?
The IUPAC name of (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide (CID 163421018) is (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide?
The canonical SMILES for (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide is C/C=C(N)\C=C(/C)CS(N)(=O)=O.
What is the InChIKey of (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide?
The InChIKey is AILXCDPNCUPTMJ-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-3-7(8)4-6(2)5-12(9,10)11/h3-4H,5,8H2,1-2H3,(H2,9,10,11)/b6-4+,7-3+.
What are the key properties of (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide?
(2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 163421018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).