N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide

C11H19N3O2S — CID 62162650

IUPACN-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cccnc1NC
InChIInChI=1S/C11H19N3O2S/c1-4-5-9-14(3)17(15,16)10-7-6-8-13-11(10)12-2/h6-8H,4-5,9H2,1-3H3,(H,12,13)
InChIKeyIADSWYYHLMSJIU-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.54
Rot. Bonds6

About N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide

N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62162650) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62162650
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cccnc1NC
InChIInChI=1S/C11H19N3O2S/c1-4-5-9-14(3)17(15,16)10-7-6-8-13-11(10)12-2/h6-8H,4-5,9H2,1-3H3,(H,12,13)
InChIKeyIADSWYYHLMSJIU-UHFFFAOYSA-N
XLogP1.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide (CID 62162650) is N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide is CCCCN(C)S(=O)(=O)c1cccnc1NC.
What is the InChIKey of N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is IADSWYYHLMSJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-5-9-14(3)17(15,16)10-7-6-8-13-11(10)12-2/h6-8H,4-5,9H2,1-3H3,(H,12,13).
What are the key properties of N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62162650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).