4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide

C9H16N4O3S — CID 104552469

IUPAC4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1cnccc1NN
InChIInChI=1S/C9H16N4O3S/c1-7(6-14)13(2)17(15,16)9-5-11-4-3-8(9)12-10/h3-5,7,14H,6,10H2,1-2H3,(H,11,12)
InChIKeyVMOFPFCHOURRKT-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.63
Rot. Bonds5

About 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide

4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 104552469) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide
PubChem CID104552469
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1cnccc1NN
InChIInChI=1S/C9H16N4O3S/c1-7(6-14)13(2)17(15,16)9-5-11-4-3-8(9)12-10/h3-5,7,14H,6,10H2,1-2H3,(H,11,12)
InChIKeyVMOFPFCHOURRKT-UHFFFAOYSA-N
XLogP-0.63
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.63
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'}

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Related Compounds

4-hydrazinyl-N-methyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 106936229
N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide
CID 107399525
5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66052921
3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83121658
4-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81255743
N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 115875785
3-hydrazinyl-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 105071982
N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 43455184
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
3-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106278343
2-(ethylamino)-N-(1-hydroxypropan-2-yl)-N-methyl-4-nitrobenzenesulfonamide
CID 104554239
4-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
CID 81256357

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide (CID 104552469) is 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide is CC(CO)N(C)S(=O)(=O)c1cnccc1NN.
What is the InChIKey of 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is VMOFPFCHOURRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-7(6-14)13(2)17(15,16)9-5-11-4-3-8(9)12-10/h3-5,7,14H,6,10H2,1-2H3,(H,11,12).
What are the key properties of 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide?
4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 104552469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).