N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide

C12H20N4O2S — CID 103341110

IUPACN,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC2CCCN2)nc1
InChIInChI=1S/C12H20N4O2S/c1-16(2)19(17,18)11-5-6-12(15-9-11)14-8-10-4-3-7-13-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyALSNHXIIGVYBKR-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.50
Rot. Bonds5

About N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide

N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide (PubChem CID 103341110) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide
PubChem CID103341110
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC2CCCN2)nc1
InChIInChI=1S/C12H20N4O2S/c1-16(2)19(17,18)11-5-6-12(15-9-11)14-8-10-4-3-7-13-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyALSNHXIIGVYBKR-UHFFFAOYSA-N
XLogP0.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542199
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
CID 114794395
6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 97256716
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
N-cycloheptyl-6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62145787
6-[[2-(chloromethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 106365560
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide (CID 103341110) is N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NCC2CCCN2)nc1.
What is the InChIKey of N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide?
The InChIKey is ALSNHXIIGVYBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-16(2)19(17,18)11-5-6-12(15-9-11)14-8-10-4-3-7-13-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide?
N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 103341110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).