4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

C12H21N3O2S2 — CID 107328140

IUPAC4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCSCC(C)NS(=O)(=O)c1c(C)cc(NN)cc1C
InChIInChI=1S/C12H21N3O2S2/c1-8-5-11(14-13)6-9(2)12(8)19(16,17)15-10(3)7-18-4/h5-6,10,14-15H,7,13H2,1-4H3
InChIKeyHNWDOYYRGVFRJG-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.62
Rot. Bonds6

About 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 107328140) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID107328140
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCSCC(C)NS(=O)(=O)c1c(C)cc(NN)cc1C
InChIInChI=1S/C12H21N3O2S2/c1-8-5-11(14-13)6-9(2)12(8)19(16,17)15-10(3)7-18-4/h5-6,10,14-15H,7,13H2,1-4H3
InChIKeyHNWDOYYRGVFRJG-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107328053
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
4-hydrazinyl-2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 107328146
3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide
CID 107329190
4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 107327983
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
CID 114142062
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661
4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107327853
N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107329229

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (CID 107328140) is 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is CSCC(C)NS(=O)(=O)c1c(C)cc(NN)cc1C.
What is the InChIKey of 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is HNWDOYYRGVFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-8-5-11(14-13)6-9(2)12(8)19(16,17)15-10(3)7-18-4/h5-6,10,14-15H,7,13H2,1-4H3.
What are the key properties of 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107328140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).