5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide

C13H20BrN3O3S — CID 63706424

IUPAC5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)CC1CCOCC1
InChIInChI=1S/C13H20BrN3O3S/c1-15-13-12(7-11(14)8-16-13)21(18,19)17(2)9-10-3-5-20-6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyKTNNPTKUFWZKJR-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.93
Rot. Bonds5

About 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide

5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 63706424) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID63706424
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)CC1CCOCC1
InChIInChI=1S/C13H20BrN3O3S/c1-15-13-12(7-11(14)8-16-13)21(18,19)17(2)9-10-3-5-20-6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyKTNNPTKUFWZKJR-UHFFFAOYSA-N
XLogP1.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63656152
5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62855898
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 63727213
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 62159209
5-bromo-2-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
CID 168730254
2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide
CID 63706928
2-bromo-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63707428
5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707617
5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80579973
6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 126841464

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide (CID 63706424) is 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)N(C)CC1CCOCC1.
What is the InChIKey of 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is KTNNPTKUFWZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-15-13-12(7-11(14)8-16-13)21(18,19)17(2)9-10-3-5-20-6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide?
5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 378.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63706424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).