N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide

C15H26N4O3S — CID 901301

IUPACN,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(CCO)CC2)nc1
InChIInChI=1S/C15H26N4O3S/c1-3-19(4-2)23(21,22)14-5-6-15(16-13-14)18-9-7-17(8-10-18)11-12-20/h5-6,13,20H,3-4,7-12H2,1-2H3
InChIKeyPTEKHXZSSDCWAW-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.23
Rot. Bonds7

About N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide

N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 901301) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID901301
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(CCO)CC2)nc1
InChIInChI=1S/C15H26N4O3S/c1-3-19(4-2)23(21,22)14-5-6-15(16-13-14)18-9-7-17(8-10-18)11-12-20/h5-6,13,20H,3-4,7-12H2,1-2H3
InChIKeyPTEKHXZSSDCWAW-UHFFFAOYSA-N
XLogP0.23
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-Methyl-piperazine-1-sulfonyl)-pyridin-2-yl]-hydrazine
CID 2461353
2-Pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268161
N-cyclohexyl-6-morpholino-3-pyridinesulfonamide
CID 2738739
N-benzyl-N-methyl-6-morpholino-3-pyridinesulfonamide
CID 2738750
Ethyl 4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazine-1-carboxylate
CID 4838967
1-Ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 4877436
N-ethyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267927
1,4-Difluoro-2-[(4-(2-pyridyl)piperazinyl)sulfonyl]benzene
CID 6466285
2-[(Phenylsulfonyl)(2-pyridinyl)amino]acetic acid
CID 1472180
4-{[6-(4-Isopropyl-1-piperazinyl)-3-pyridinyl]sulfonyl}morpholine
CID 1214505
6-morpholino-N,N-bis(2-pyridinylmethyl)-3-pyridinesulfonamide
CID 2738754
N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2964893

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 901301) is N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCN(CCO)CC2)nc1.
What is the InChIKey of N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is PTEKHXZSSDCWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-3-19(4-2)23(21,22)14-5-6-15(16-13-14)18-9-7-17(8-10-18)11-12-20/h5-6,13,20H,3-4,7-12H2,1-2H3.
What are the key properties of N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide?
N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 901301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).