(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide

C11H14N2O2S — CID 144546436

IUPAC(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide
SMILESC=C/C=C\C(=C1/CC=CC=N1)S(=O)(=O)NC
InChIInChI=1S/C11H14N2O2S/c1-3-4-8-11(16(14,15)12-2)10-7-5-6-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-4-,11-10-
InChIKeyDHYIDLIVJUAXIM-HBPBTQBCSA-N
MW238.31 g/mol
LogP1.52
Rot. Bonds4

About (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide

(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide (PubChem CID 144546436) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide
PubChem CID144546436
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide
SMILESC=C/C=C\C(=C1/CC=CC=N1)S(=O)(=O)NC
InChIInChI=1S/C11H14N2O2S/c1-3-4-8-11(16(14,15)12-2)10-7-5-6-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-4-,11-10-
InChIKeyDHYIDLIVJUAXIM-HBPBTQBCSA-N
XLogP1.52
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide
CID 71146353
N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide
CID 123907841
ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
CID 143283531
ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene
CID 144546435
N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
CID 143283532
(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide
CID 143377798
N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine
CID 144853606

Frequently Asked Questions

What is the IUPAC name of (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide?
The IUPAC name of (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide (CID 144546436) is (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide.
What is the SMILES notation for (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide?
The canonical SMILES for (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide is C=C/C=C\C(=C1/CC=CC=N1)S(=O)(=O)NC.
What is the InChIKey of (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide?
The InChIKey is DHYIDLIVJUAXIM-HBPBTQBCSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-3-4-8-11(16(14,15)12-2)10-7-5-6-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-4-,11-10-.
What are the key properties of (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide?
(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide has a molecular weight of 238.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide is sourced from PubChem (CID 144546436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).