N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide

C13H22N4O2S — CID 120764052

IUPACN,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C13H22N4O2S/c1-3-16(4-2)20(18,19)17-9-8-15-11-13(17)12-6-5-7-14-10-12/h5-7,10,13,15H,3-4,8-9,11H2,1-2H3
InChIKeyRFHSFBKFEUZDTJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.61
Rot. Bonds5

About N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide

N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide (PubChem CID 120764052) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
PubChem CID120764052
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C13H22N4O2S/c1-3-16(4-2)20(18,19)17-9-8-15-11-13(17)12-6-5-7-14-10-12/h5-7,10,13,15H,3-4,8-9,11H2,1-2H3
InChIKeyRFHSFBKFEUZDTJ-UHFFFAOYSA-N
XLogP0.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763713
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763986
1-benzylsulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763847
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120876698
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
1-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine
CID 120763880

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide (CID 120764052) is N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide?
The InChIKey is RFHSFBKFEUZDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-16(4-2)20(18,19)17-9-8-15-11-13(17)12-6-5-7-14-10-12/h5-7,10,13,15H,3-4,8-9,11H2,1-2H3.
What are the key properties of N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide?
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 120764052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).