N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide

C12H21N3O2S — CID 106074853

IUPACN',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide
SMILESCNCc1cc(C)c(C)c(S(=O)(=O)NN(C)C)c1
InChIInChI=1S/C12H21N3O2S/c1-9-6-11(8-13-3)7-12(10(9)2)18(16,17)14-15(4)5/h6-7,13-14H,8H2,1-5H3
InChIKeyQNXJNDLLSQFDIF-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.78
Rot. Bonds5

About N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide

N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide (PubChem CID 106074853) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide
PubChem CID106074853
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide
SMILESCNCc1cc(C)c(C)c(S(=O)(=O)NN(C)C)c1
InChIInChI=1S/C12H21N3O2S/c1-9-6-11(8-13-3)7-12(10(9)2)18(16,17)14-15(4)5/h6-7,13-14H,8H2,1-5H3
InChIKeyQNXJNDLLSQFDIF-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031473
2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071667
5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
CID 106074932
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
2-bromo-N-butan-2-yl-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364120
2-bromo-N-(1-methoxypropan-2-yl)-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364602
N-[4-(dimethylamino)butyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106051733
2-bromo-3-methyl-5-(methylaminomethyl)-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 106079464
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106074318
2-bromo-N-(cyclobutylmethyl)-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114365049
2-bromo-N-(2,2-dimethylcyclopropyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364856
3-bromo-N-butan-2-yl-N-ethyl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81481214

Frequently Asked Questions

What is the IUPAC name of N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide?
The IUPAC name of N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide (CID 106074853) is N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide.
What is the SMILES notation for N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide?
The canonical SMILES for N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide is CNCc1cc(C)c(C)c(S(=O)(=O)NN(C)C)c1.
What is the InChIKey of N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide?
The InChIKey is QNXJNDLLSQFDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-6-11(8-13-3)7-12(10(9)2)18(16,17)14-15(4)5/h6-7,13-14H,8H2,1-5H3.
What are the key properties of N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide?
N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide has a molecular weight of 271.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide is sourced from PubChem (CID 106074853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).