1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C19H26N2O4S — CID 24530870

IUPAC1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H26N2O4S/c1-20(2)26(24,25)16-3-4-18(23)21(11-16)12-17(22)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,11,13-15H,5-10,12H2,1-2H3
InChIKeyIFFNYLVQIIHPLI-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.88
Rot. Bonds5

About 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 24530870) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID24530870
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H26N2O4S/c1-20(2)26(24,25)16-3-4-18(23)21(11-16)12-17(22)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,11,13-15H,5-10,12H2,1-2H3
InChIKeyIFFNYLVQIIHPLI-UHFFFAOYSA-N
XLogP1.88
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 24530870) is 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is IFFNYLVQIIHPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-20(2)26(24,25)16-3-4-18(23)21(11-16)12-17(22)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,11,13-15H,5-10,12H2,1-2H3.
What are the key properties of 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 378.49 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 24530870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).