N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide

C17H27N3O4S — CID 32978768

IUPACN,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C17H27N3O4S/c1-4-20(5-2)25(23,24)15-6-7-16(21)19(12-15)13-17(22)18-10-8-14(3)9-11-18/h6-7,12,14H,4-5,8-11,13H2,1-3H3
InChIKeyLXEGKIXLIZNFNN-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.14
Rot. Bonds6

About N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide

N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide (PubChem CID 32978768) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
PubChem CID32978768
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C17H27N3O4S/c1-4-20(5-2)25(23,24)15-6-7-16(21)19(12-15)13-17(22)18-10-8-14(3)9-11-18/h6-7,12,14H,4-5,8-11,13H2,1-3H3
InChIKeyLXEGKIXLIZNFNN-UHFFFAOYSA-N
XLogP1.14
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide (CID 32978768) is N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is LXEGKIXLIZNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-20(5-2)25(23,24)15-6-7-16(21)19(12-15)13-17(22)18-10-8-14(3)9-11-18/h6-7,12,14H,4-5,8-11,13H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 32978768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).