N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide

C13H18N2O2S — CID 144745149

IUPACN-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide
SMILESC=C=NCCCS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O2S/c1-3-14-10-7-11-18(16,17)15(2)12-13-8-5-4-6-9-13/h4-6,8-9H,1,7,10-12H2,2H3
InChIKeyBBZJPSOOWMRFSE-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.69
Rot. Bonds7

About N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide

N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide (PubChem CID 144745149) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide
PubChem CID144745149
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide
SMILESC=C=NCCCS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O2S/c1-3-14-10-7-11-18(16,17)15(2)12-13-8-5-4-6-9-13/h4-6,8-9H,1,7,10-12H2,2H3
InChIKeyBBZJPSOOWMRFSE-UHFFFAOYSA-N
XLogP1.69
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide
CID 110674320
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
4-[(4-chlorophenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362117
N-benzyl-1-[benzyl(methyl)amino]sulfanyl-N-methylmethanesulfonamide
CID 139397005
N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
CID 148954390
3-[benzyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 18522094
N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide
CID 29299050
3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
CID 43653893
N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide
CID 110669404
3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 110674327
3-[(3-bromophenyl)methyl-methylsulfamoyl]propanoic acid
CID 61041127
3-[(4-chlorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 43173105

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide?
The IUPAC name of N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide (CID 144745149) is N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide is C=C=NCCCS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide?
The InChIKey is BBZJPSOOWMRFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-14-10-7-11-18(16,17)15(2)12-13-8-5-4-6-9-13/h4-6,8-9H,1,7,10-12H2,2H3.
What are the key properties of N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide?
N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(ethenylideneamino)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 144745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).