6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide

C16H19N3O2S — CID 97256716

IUPAC6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC[C@@H]2Cc3ccccc32)nc1
InChIInChI=1S/C16H19N3O2S/c1-19(2)22(20,21)14-7-8-16(18-11-14)17-10-13-9-12-5-3-4-6-15(12)13/h3-8,11,13H,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyGAUSKZCNNBYPBR-ZDUSSCGKSA-N
MW317.41 g/mol
LogP2.08
Rot. Bonds5

About 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide

6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 97256716) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID97256716
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC[C@@H]2Cc3ccccc32)nc1
InChIInChI=1S/C16H19N3O2S/c1-19(2)22(20,21)14-7-8-16(18-11-14)17-10-13-9-12-5-3-4-6-15(12)13/h3-8,11,13H,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyGAUSKZCNNBYPBR-ZDUSSCGKSA-N
XLogP2.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide with MolForge

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Related Compounds

6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide
CID 103341110
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylsulfonylaniline
CID 60816642
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine
CID 83266351
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 126795085
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide
CID 107143521
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159

Frequently Asked Questions

What is the IUPAC name of 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide (CID 97256716) is 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NC[C@@H]2Cc3ccccc32)nc1.
What is the InChIKey of 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is GAUSKZCNNBYPBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-19(2)22(20,21)14-7-8-16(18-11-14)17-10-13-9-12-5-3-4-6-15(12)13/h3-8,11,13H,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide?
6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 97256716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).