N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide

C13H22N4O2S — CID 125019512

IUPACN,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-16(4-2)20(18,19)17-9-5-12(6-10-17)13-11-14-7-8-15-13/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyXWMBHQHWEHZOCJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.24
Rot. Bonds5

About N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide

N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide (PubChem CID 125019512) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide
PubChem CID125019512
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-16(4-2)20(18,19)17-9-5-12(6-10-17)13-11-14-7-8-15-13/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyXWMBHQHWEHZOCJ-UHFFFAOYSA-N
XLogP1.24
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide (CID 125019512) is N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(c2cnccn2)CC1.
What is the InChIKey of N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide?
The InChIKey is XWMBHQHWEHZOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-16(4-2)20(18,19)17-9-5-12(6-10-17)13-11-14-7-8-15-13/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide?
N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 125019512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).