N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

C11H18N2O3S — CID 43629289

IUPACN-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O3S/c1-4-9(2)8-13(3)17(15,16)10-5-6-11(14)12-7-10/h5-7,9H,4,8H2,1-3H3,(H,12,14)
InChIKeyIMVCOJPUTXSXSH-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.04
Rot. Bonds5

About N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629289) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629289
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O3S/c1-4-9(2)8-13(3)17(15,16)10-5-6-11(14)12-7-10/h5-7,9H,4,8H2,1-3H3,(H,12,14)
InChIKeyIMVCOJPUTXSXSH-UHFFFAOYSA-N
XLogP1.04
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629289) is N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is CCC(C)CN(C)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is IMVCOJPUTXSXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-9(2)8-13(3)17(15,16)10-5-6-11(14)12-7-10/h5-7,9H,4,8H2,1-3H3,(H,12,14).
What are the key properties of N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).