N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide

C13H22N2O4S — CID 60958530

IUPACN-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H22N2O4S/c1-4-11(5-2)15(8-9-19-3)20(17,18)12-6-7-13(16)14-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyHCSYIRGQPRAVGC-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.20
Rot. Bonds8

About N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide

N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide (PubChem CID 60958530) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide
PubChem CID60958530
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H22N2O4S/c1-4-11(5-2)15(8-9-19-3)20(17,18)12-6-7-13(16)14-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyHCSYIRGQPRAVGC-UHFFFAOYSA-N
XLogP1.20
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide (CID 60958530) is N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide is CCC(CC)N(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide?
The InChIKey is HCSYIRGQPRAVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-11(5-2)15(8-9-19-3)20(17,18)12-6-7-13(16)14-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide?
N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60958530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).