4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

C14H26N4O2S — CID 107327983

IUPAC4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C14H26N4O2S/c1-10(2)18(5)7-6-16-21(19,20)14-11(3)8-13(17-15)9-12(14)4/h8-10,16-17H,6-7,15H2,1-5H3
InChIKeyPRGYBRHBXKKSQL-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.21
Rot. Bonds7

About 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 107327983) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID107327983
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C14H26N4O2S/c1-10(2)18(5)7-6-16-21(19,20)14-11(3)8-13(17-15)9-12(14)4/h8-10,16-17H,6-7,15H2,1-5H3
InChIKeyPRGYBRHBXKKSQL-UHFFFAOYSA-N
XLogP1.21
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.21
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-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
4-hydrazinyl-2,6-dimethyl-N-(3-sulfamoylpropyl)benzenesulfonamide
CID 107327963
N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107328053
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 107328140
5-(aminomethyl)-2-bromo-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055720
4-(aminomethyl)-2,5-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]furan-3-sulfonamide
CID 106055578
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide
CID 107327911
4-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328062
4-hydrazinyl-2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 107328146

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (CID 107327983) is 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)NCCN(C)C(C)C.
What is the InChIKey of 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is PRGYBRHBXKKSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-10(2)18(5)7-6-16-21(19,20)14-11(3)8-13(17-15)9-12(14)4/h8-10,16-17H,6-7,15H2,1-5H3.
What are the key properties of 4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.21, 7 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-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 107327983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).