N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide

C13H24N4O2S — CID 107328017

IUPACN-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(C)CCN(C)C
InChIInChI=1S/C13H24N4O2S/c1-10-8-12(15-14)9-11(2)13(10)20(18,19)17(5)7-6-16(3)4/h8-9,15H,6-7,14H2,1-5H3
InChIKeyHMHZMOKDQZIOTN-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.77
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide (PubChem CID 107328017) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
PubChem CID107328017
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(C)CCN(C)C
InChIInChI=1S/C13H24N4O2S/c1-10-8-12(15-14)9-11(2)13(10)20(18,19)17(5)7-6-16(3)4/h8-9,15H,6-7,14H2,1-5H3
InChIKeyHMHZMOKDQZIOTN-UHFFFAOYSA-N
XLogP0.77
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.77
H-Bond Donors ≤ 52
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,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107327994
N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328167
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
CID 107328647
4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide
CID 107327779
3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide
CID 63693737
4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 107327983
N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107327941
3-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 39385586
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 107328384

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide (CID 107328017) is N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)N(C)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is HMHZMOKDQZIOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10-8-12(15-14)9-11(2)13(10)20(18,19)17(5)7-6-16(3)4/h8-9,15H,6-7,14H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107328017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).