(2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide

C11H18N2O2S — CID 155417604

IUPAC(2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide
SMILESC=C(/C=N/C(C)=C\C)/C(C)=C(\C)S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-6-9(3)13-7-8(2)10(4)11(5)16(12,14)15/h6-7H,2H2,1,3-5H3,(H2,12,14,15)/b9-6-,11-10+,13-7+
InChIKeyMIGUEILQUNBZDU-OATGDJTBSA-N
MW242.34 g/mol
LogP2.12
Rot. Bonds4

About (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide

(2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide (PubChem CID 155417604) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide.

Molecular Properties

Compound Name(2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide
PubChem CID155417604
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide
SMILESC=C(/C=N/C(C)=C\C)/C(C)=C(\C)S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-6-9(3)13-7-8(2)10(4)11(5)16(12,14)15/h6-7H,2H2,1,3-5H3,(H2,12,14,15)/b9-6-,11-10+,13-7+
InChIKeyMIGUEILQUNBZDU-OATGDJTBSA-N
XLogP2.12
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide?
The IUPAC name of (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide (CID 155417604) is (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide.
What is the SMILES notation for (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide?
The canonical SMILES for (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide is C=C(/C=N/C(C)=C\C)/C(C)=C(\C)S(N)(=O)=O.
What is the InChIKey of (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide?
The InChIKey is MIGUEILQUNBZDU-OATGDJTBSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6-9(3)13-7-8(2)10(4)11(5)16(12,14)15/h6-7H,2H2,1,3-5H3,(H2,12,14,15)/b9-6-,11-10+,13-7+.
What are the key properties of (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide?
(2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide is sourced from PubChem (CID 155417604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).