N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide

C8H11NO3S — CID 46881305

IUPACN-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide
SMILESCS(=O)(=O)N/C=C1/C=CCCC1=O
InChIInChI=1S/C8H11NO3S/c1-13(11,12)9-6-7-4-2-3-5-8(7)10/h2,4,6,9H,3,5H2,1H3/b7-6-
InChIKeyPGLIKFFYXAPHGE-SREVYHEPSA-N
MW201.25 g/mol
LogP0.34
Rot. Bonds2

About N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide

N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide (PubChem CID 46881305) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide
PubChem CID46881305
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC NameN-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide
SMILESCS(=O)(=O)N/C=C1/C=CCCC1=O
InChIInChI=1S/C8H11NO3S/c1-13(11,12)9-6-7-4-2-3-5-8(7)10/h2,4,6,9H,3,5H2,1H3/b7-6-
InChIKeyPGLIKFFYXAPHGE-SREVYHEPSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide?
The IUPAC name of N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide (CID 46881305) is N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide.
What is the SMILES notation for N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide?
The canonical SMILES for N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide is CS(=O)(=O)N/C=C1/C=CCCC1=O.
What is the InChIKey of N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide?
The InChIKey is PGLIKFFYXAPHGE-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-13(11,12)9-6-7-4-2-3-5-8(7)10/h2,4,6,9H,3,5H2,1H3/b7-6-.
What are the key properties of N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide?
N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-oxocyclohex-2-en-1-ylidene)methyl]methanesulfonamide is sourced from PubChem (CID 46881305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).