N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide

C13H23N3O2S — CID 143105273

IUPACN-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide
SMILESCN(C[C@@H](NN)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)12(15-14)10-16(4)19(17,18)11-8-6-5-7-9-11/h5-9,12,15H,10,14H2,1-4H3/t12-/m1/s1
InChIKeyKPUILNJJVJPVAB-GFCCVEGCSA-N
MW285.41 g/mol
LogP1.19
Rot. Bonds5

About N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide

N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide (PubChem CID 143105273) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide
PubChem CID143105273
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide
SMILESCN(C[C@@H](NN)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)12(15-14)10-16(4)19(17,18)11-8-6-5-7-9-11/h5-9,12,15H,10,14H2,1-4H3/t12-/m1/s1
InChIKeyKPUILNJJVJPVAB-GFCCVEGCSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(r)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25752017
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluorobenzenesulfonamide
CID 54937885
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
CID 54937924
N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide
CID 60716563
N-[2-(dimethylamino)-3-methylbutyl]-2-fluorobenzenesulfonamide
CID 60716564
N-(1-amino-2-methylbutan-2-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 62009641
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 62009843
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 62009844
N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 114208127
N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 114208132
N-(1-amino-3,3-dimethylbutan-2-yl)-2,5-difluorobenzenesulfonamide
CID 121674391
N-(1-amino-3,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
CID 121674415

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide (CID 143105273) is N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide is CN(C[C@@H](NN)C(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide?
The InChIKey is KPUILNJJVJPVAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)12(15-14)10-16(4)19(17,18)11-8-6-5-7-9-11/h5-9,12,15H,10,14H2,1-4H3/t12-/m1/s1.
What are the key properties of N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide?
N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 143105273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).