2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide

C11H18N4O2S2 — CID 80601215

IUPAC2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)NCC2CCCCS2)ccn1
InChIInChI=1S/C11H18N4O2S2/c12-15-11-7-10(4-5-13-11)19(16,17)14-8-9-3-1-2-6-18-9/h4-5,7,9,14H,1-3,6,8,12H2,(H,13,15)
InChIKeyGBQVFZKLHIXEJB-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.93
Rot. Bonds5

About 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide

2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide (PubChem CID 80601215) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
PubChem CID80601215
Molecular FormulaC11H18N4O2S2
Molecular Weight302.42 g/mol
Exact Mass302.09
IUPAC Name2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)NCC2CCCCS2)ccn1
InChIInChI=1S/C11H18N4O2S2/c12-15-11-7-10(4-5-13-11)19(16,17)14-8-9-3-1-2-6-18-9/h4-5,7,9,14H,1-3,6,8,12H2,(H,13,15)
InChIKeyGBQVFZKLHIXEJB-UHFFFAOYSA-N
XLogP0.93
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopentylethyl)-2-hydrazinylpyridine-4-sulfonamide
CID 54895638
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 81040484
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
CID 80613102
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 80600536
2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 61004239
N-(1-cyclohexylethyl)-2-hydrazinylpyridine-4-sulfonamide
CID 62405634
2-hydrazinyl-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80585516
5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
CID 80599938
4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 107328091
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-hydrazinylpyridine-4-sulfonamide
CID 114132997

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide (CID 80601215) is 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide is NNc1cc(S(=O)(=O)NCC2CCCCS2)ccn1.
What is the InChIKey of 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide?
The InChIKey is GBQVFZKLHIXEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c12-15-11-7-10(4-5-13-11)19(16,17)14-8-9-3-1-2-6-18-9/h4-5,7,9,14H,1-3,6,8,12H2,(H,13,15).
What are the key properties of 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide?
2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 80601215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).