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

C12H19ClN4O2S — CID 105420269

IUPAC6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cnc(N)c(Cl)c2)CCC1
InChIInChI=1S/C12H19ClN4O2S/c1-17(2)12(4-3-5-12)8-16-20(18,19)9-6-10(13)11(14)15-7-9/h6-7,16H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyMVHUQOADSXSRJO-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.08
Rot. Bonds5

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

6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide (PubChem CID 105420269) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide
PubChem CID105420269
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cnc(N)c(Cl)c2)CCC1
InChIInChI=1S/C12H19ClN4O2S/c1-17(2)12(4-3-5-12)8-16-20(18,19)9-6-10(13)11(14)15-7-9/h6-7,16H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyMVHUQOADSXSRJO-UHFFFAOYSA-N
XLogP1.08
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 105419180
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
6-amino-5-chloro-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83023337
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 64602641
6-amino-5-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64601703
6-amino-5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64601870
6-amino-5-chloro-N-(3-cyclopentylpropyl)pyridine-3-sulfonamide
CID 106014920
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide (CID 105420269) is 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide is CN(C)C1(CNS(=O)(=O)c2cnc(N)c(Cl)c2)CCC1.
What is the InChIKey of 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide?
The InChIKey is MVHUQOADSXSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-17(2)12(4-3-5-12)8-16-20(18,19)9-6-10(13)11(14)15-7-9/h6-7,16H,3-5,8H2,1-2H3,(H2,14,15).
What are the key properties of 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide?
6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 105420269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).