5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide

C12H20ClN5O2S — CID 105419180

IUPAC5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)CCC1
InChIInChI=1S/C12H20ClN5O2S/c1-18(2)12(4-3-5-12)8-16-21(19,20)9-6-10(13)11(17-14)15-7-9/h6-7,16H,3-5,8,14H2,1-2H3,(H,15,17)
InChIKeyLBCKUNDIIIBMJV-UHFFFAOYSA-N
MW333.85 g/mol
LogP0.78
Rot. Bonds6

About 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide

5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 105419180) has the molecular formula C12H20ClN5O2S and a molecular weight of 333.85 g/mol. Its IUPAC name is 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide
PubChem CID105419180
Molecular FormulaC12H20ClN5O2S
Molecular Weight333.85 g/mol
Exact Mass333.10
IUPAC Name5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)CCC1
InChIInChI=1S/C12H20ClN5O2S/c1-18(2)12(4-3-5-12)8-16-21(19,20)9-6-10(13)11(17-14)15-7-9/h6-7,16H,3-5,8,14H2,1-2H3,(H,15,17)
InChIKeyLBCKUNDIIIBMJV-UHFFFAOYSA-N
XLogP0.78
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.85
LogP ≤ 50.78
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

6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide
CID 105420269
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
5-chloro-N-(2-cyclobutylethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 113479037
5-chloro-6-hydrazinyl-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64608544
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
5-chloro-6-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyridine-3-sulfonamide
CID 64608765
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 64608963
5-chloro-N-[2-(dimethylamino)ethyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608007
5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 64607222

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide (CID 105419180) is 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide is CN(C)C1(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)CCC1.
What is the InChIKey of 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is LBCKUNDIIIBMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O2S/c1-18(2)12(4-3-5-12)8-16-21(19,20)9-6-10(13)11(17-14)15-7-9/h6-7,16H,3-5,8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide?
5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 333.85 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 105419180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).