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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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).