4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

C12H20N4O2S2 — CID 106325962

IUPAC4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCCN2CCSCC2)cc1
InChIInChI=1S/C12H20N4O2S2/c13-15-11-1-3-12(4-2-11)20(17,18)14-5-6-16-7-9-19-10-8-16/h1-4,14-15H,5-10,13H2
InChIKeyYLROLHAICMCBRT-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.30
Rot. Bonds6

About 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (PubChem CID 106325962) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
PubChem CID106325962
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCCN2CCSCC2)cc1
InChIInChI=1S/C12H20N4O2S2/c13-15-11-1-3-12(4-2-11)20(17,18)14-5-6-16-7-9-19-10-8-16/h1-4,14-15H,5-10,13H2
InChIKeyYLROLHAICMCBRT-UHFFFAOYSA-N
XLogP0.30
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.30
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 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide 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

4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327319
3-amino-4-bromo-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324544
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
CID 106327013
N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 113234769
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62641660
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324656

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (CID 106325962) is 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is NNc1ccc(S(=O)(=O)NCCN2CCSCC2)cc1.
What is the InChIKey of 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is YLROLHAICMCBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c13-15-11-1-3-12(4-2-11)20(17,18)14-5-6-16-7-9-19-10-8-16/h1-4,14-15H,5-10,13H2.
What are the key properties of 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 316.45 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106325962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).