3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide

C11H19N3O2S — CID 114280117

IUPAC3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)NCc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H19N3O2S/c1-13(2)12-9-10-6-5-7-11(8-10)17(15,16)14(3)4/h5-8,12H,9H2,1-4H3
InChIKeyGGKUIMRCNDPWPY-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.50
Rot. Bonds5

About 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide

3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 114280117) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID114280117
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)NCc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H19N3O2S/c1-13(2)12-9-10-6-5-7-11(8-10)17(15,16)14(3)4/h5-8,12H,9H2,1-4H3
InChIKeyGGKUIMRCNDPWPY-UHFFFAOYSA-N
XLogP0.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579
N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-[[3-(dimethylsulfamoyl)phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009600
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
3-[(3,5-dimethylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787329
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43234682
[3-(dimethylsulfamoyl)phenyl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 2455455
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide (CID 114280117) is 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide is CN(C)NCc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GGKUIMRCNDPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-13(2)12-9-10-6-5-7-11(8-10)17(15,16)14(3)4/h5-8,12H,9H2,1-4H3.
What are the key properties of 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 114280117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).