N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide

C13H24N4O2S — CID 61478066

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H24N4O2S/c1-10(2)13(9-17(3)4)16-20(18,19)12-7-5-11(15-14)6-8-12/h5-8,10,13,15-16H,9,14H2,1-4H3
InChIKeyQLAFQMIYDGYDOK-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.84
Rot. Bonds7

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide (PubChem CID 61478066) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
PubChem CID61478066
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H24N4O2S/c1-10(2)13(9-17(3)4)16-20(18,19)12-7-5-11(15-14)6-8-12/h5-8,10,13,15-16H,9,14H2,1-4H3
InChIKeyQLAFQMIYDGYDOK-UHFFFAOYSA-N
XLogP0.84
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.84
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

4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide
CID 114613286
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61479202
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61480429
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62159357
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
CID 81241641
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 61476354

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide (CID 61478066) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide is CC(C)C(CN(C)C)NS(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide?
The InChIKey is QLAFQMIYDGYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)13(9-17(3)4)16-20(18,19)12-7-5-11(15-14)6-8-12/h5-8,10,13,15-16H,9,14H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 61478066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).