4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide

C14H23N3O2S2 — CID 107328091

IUPAC4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C14H23N3O2S2/c1-10-7-12(17-15)8-11(2)14(10)21(18,19)16-9-13-5-3-4-6-20-13/h7-8,13,16-17H,3-6,9,15H2,1-2H3
InChIKeyMBDTYCSBAQSOPF-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.15
Rot. Bonds5

About 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide

4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide (PubChem CID 107328091) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
PubChem CID107328091
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C14H23N3O2S2/c1-10-7-12(17-15)8-11(2)14(10)21(18,19)16-9-13-5-3-4-6-20-13/h7-8,13,16-17H,3-6,9,15H2,1-2H3
InChIKeyMBDTYCSBAQSOPF-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.15
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

5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 106072242
4-methyl-3-(thian-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102749042
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106072257
2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
CID 80601215
3-amino-5-bromo-2-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 114379946
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071705
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
CID 80599938
N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107328053

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide (CID 107328091) is 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)NCC1CCCCS1.
What is the InChIKey of 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide?
The InChIKey is MBDTYCSBAQSOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-10-7-12(17-15)8-11(2)14(10)21(18,19)16-9-13-5-3-4-6-20-13/h7-8,13,16-17H,3-6,9,15H2,1-2H3.
What are the key properties of 4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide?
4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide has a molecular weight of 329.49 g/mol, XLogP of 2.15, 5 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-(thian-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107328091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).