N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride

C15H25ClN4O3S — CID 120731433

IUPACN,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C15H24N4O3S.ClH/c1-3-18(4-2)23(21,22)12-15(20)19-9-8-17-11-14(19)13-6-5-7-16-10-13;/h5-7,10,14,17H,3-4,8-9,11-12H2,1-2H3;1H
InChIKeyYXCWDIDQSRGFQG-UHFFFAOYSA-N
MW376.91 g/mol
LogP0.65
Rot. Bonds6

About N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride

N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride (PubChem CID 120731433) has the molecular formula C15H25ClN4O3S and a molecular weight of 376.91 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
PubChem CID120731433
Molecular FormulaC15H25ClN4O3S
Molecular Weight376.91 g/mol
Exact Mass376.13
IUPAC NameN,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C15H24N4O3S.ClH/c1-3-18(4-2)23(21,22)12-15(20)19-9-8-17-11-14(19)13-6-5-7-16-10-13;/h5-7,10,14,17H,3-4,8-9,11-12H2,1-2H3;1H
InChIKeyYXCWDIDQSRGFQG-UHFFFAOYSA-N
XLogP0.65
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
2-pentylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731933
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
CID 120730453
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
3-(4-methylpentan-2-yloxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730863

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride?
The IUPAC name of N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride (CID 120731433) is N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride?
The canonical SMILES for N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride is CCN(CC)S(=O)(=O)CC(=O)N1CCNCC1c1cccnc1.Cl.
What is the InChIKey of N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride?
The InChIKey is YXCWDIDQSRGFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S.ClH/c1-3-18(4-2)23(21,22)12-15(20)19-9-8-17-11-14(19)13-6-5-7-16-10-13;/h5-7,10,14,17H,3-4,8-9,11-12H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride?
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 120731433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).