5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate

C15H19NO4S — CID 101084497

IUPAC5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate
SMILESCC(C)=C=CCCOC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO4S/c1-12(2)6-4-5-11-20-15(17)16-21(18,19)14-9-7-13(3)8-10-14/h4,7-10H,5,11H2,1-3H3,(H,16,17)
InChIKeyAMHCHMNRNYEUOZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.92
Rot. Bonds5

About 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate

5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 101084497) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate
PubChem CID101084497
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate
SMILESCC(C)=C=CCCOC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO4S/c1-12(2)6-4-5-11-20-15(17)16-21(18,19)14-9-7-13(3)8-10-14/h4,7-10H,5,11H2,1-3H3,(H,16,17)
InChIKeyAMHCHMNRNYEUOZ-UHFFFAOYSA-N
XLogP2.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyanoethyl N-(4-methylphenyl)sulfonylcarbamate
CID 101122672
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 110192023
[(Z)-4-methyl-4-[(4-methylphenyl)sulfonylcarbamoyloxy]pent-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 101177082
(4-methylphenyl)sulfonylurea;urea
CID 160676948
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
2-[(4-methylphenoxy)carbonylamino]ethyl N-[4-(2-chloroethyl)phenyl]sulfonylcarbamate
CID 71675505
2,2,4,4,5-pentamethylhexyl N-(4-methylphenyl)sulfonylcarbamate
CID 169235724
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582
2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 90775429
4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide
CID 11119928

Frequently Asked Questions

What is the IUPAC name of 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate (CID 101084497) is 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate is CC(C)=C=CCCOC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is AMHCHMNRNYEUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-12(2)6-4-5-11-20-15(17)16-21(18,19)14-9-7-13(3)8-10-14/h4,7-10H,5,11H2,1-3H3,(H,16,17).
What are the key properties of 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate?
5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 309.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 101084497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).