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

C12H16N2O2S — CID 123907841

IUPACN-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide
SMILESCC=CC=CC(=C1CC=CC=N1)S(=O)(=O)NC
InChIInChI=1S/C12H16N2O2S/c1-3-4-5-9-12(17(15,16)13-2)11-8-6-7-10-14-11/h3-7,9-10,13H,8H2,1-2H3
InChIKeyKMEZENGXCXHPDQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.91
Rot. Bonds4

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

N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide (PubChem CID 123907841) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide
PubChem CID123907841
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide
SMILESCC=CC=CC(=C1CC=CC=N1)S(=O)(=O)NC
InChIInChI=1S/C12H16N2O2S/c1-3-4-5-9-12(17(15,16)13-2)11-8-6-7-10-14-11/h3-7,9-10,13H,8H2,1-2H3
InChIKeyKMEZENGXCXHPDQ-UHFFFAOYSA-N
XLogP1.91
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-methylidene-6-(prop-1-en-2-yliminomethyl)hepta-1,3,6-triene-4-sulfonamide
CID 143030239
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
(2E)-4-[[(Z)-but-2-en-2-yl]iminomethyl]-3-methylpenta-2,4-diene-2-sulfonamide
CID 155417604
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
(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide
CID 144546436
N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine
CID 144853606

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide?
The IUPAC name of N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide (CID 123907841) is N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide?
The canonical SMILES for N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide is CC=CC=CC(=C1CC=CC=N1)S(=O)(=O)NC.
What is the InChIKey of N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide?
The InChIKey is KMEZENGXCXHPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-4-5-9-12(17(15,16)13-2)11-8-6-7-10-14-11/h3-7,9-10,13H,8H2,1-2H3.
What are the key properties of N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide?
N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide has a molecular weight of 252.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 123907841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).