N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide

C11H17NO2S2 — CID 129166946

IUPACN-benzyl-N-methyl-1-methylsulfanylethanesulfonamide
SMILESCSC(C)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H17NO2S2/c1-10(15-3)16(13,14)12(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyGZAYABWMODOXOB-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.16
Rot. Bonds5

About N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide

N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide (PubChem CID 129166946) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-methylsulfanylethanesulfonamide
PubChem CID129166946
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-benzyl-N-methyl-1-methylsulfanylethanesulfonamide
SMILESCSC(C)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H17NO2S2/c1-10(15-3)16(13,14)12(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyGZAYABWMODOXOB-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[benzyl(methyl)sulfamoyl]propanoate
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2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
N-benzyl-1-[benzyl(methyl)amino]sulfanyl-N-methylmethanesulfonamide
CID 139397005
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
CID 115302718
N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61043511
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61362465
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
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2-[(4-hydroxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 54947444

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide?
The IUPAC name of N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide (CID 129166946) is N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide is CSC(C)S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide?
The InChIKey is GZAYABWMODOXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-10(15-3)16(13,14)12(2)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide?
N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide has a molecular weight of 259.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide is sourced from PubChem (CID 129166946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).