N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide

C10H16N4O4S2 — CID 81040484

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)NCC2CCCS2(=O)=O)ccn1
InChIInChI=1S/C10H16N4O4S2/c11-14-10-6-8(3-4-12-10)20(17,18)13-7-9-2-1-5-19(9,15)16/h3-4,6,9,13H,1-2,5,7,11H2,(H,12,14)
InChIKeyRWKUBXJQRUYEOZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.78
Rot. Bonds5

About N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide

N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 81040484) has the molecular formula C10H16N4O4S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide
PubChem CID81040484
Molecular FormulaC10H16N4O4S2
Molecular Weight320.40 g/mol
Exact Mass320.06
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)NCC2CCCS2(=O)=O)ccn1
InChIInChI=1S/C10H16N4O4S2/c11-14-10-6-8(3-4-12-10)20(17,18)13-7-9-2-1-5-19(9,15)16/h3-4,6,9,13H,1-2,5,7,11H2,(H,12,14)
InChIKeyRWKUBXJQRUYEOZ-UHFFFAOYSA-N
XLogP-0.78
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
CID 80601215
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 81039346
N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 81040530
N-(2-cyclopentylethyl)-2-hydrazinylpyridine-4-sulfonamide
CID 54895638
3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 81042057
N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 81047067
N-[(1,1-dioxothiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 81040838
2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 61004239
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-2,6-difluorobenzenesulfonamide
CID 81043484
3-amino-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 81041486
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 81038747
5-amino-2-bromo-N-[(1,1-dioxothiolan-2-yl)methyl]benzenesulfonamide
CID 81039604

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide (CID 81040484) is N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide is NNc1cc(S(=O)(=O)NCC2CCCS2(=O)=O)ccn1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is RWKUBXJQRUYEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S2/c11-14-10-6-8(3-4-12-10)20(17,18)13-7-9-2-1-5-19(9,15)16/h3-4,6,9,13H,1-2,5,7,11H2,(H,12,14).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide has a molecular weight of 320.40 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 81040484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).