N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide

C13H22N4O3S — CID 902061

IUPACN-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cccnc1N1CCN(CCO)CC1
InChIInChI=1S/C13H22N4O3S/c1-2-15-21(19,20)12-4-3-5-14-13(12)17-8-6-16(7-9-17)10-11-18/h3-5,15,18H,2,6-11H2,1H3
InChIKeyDWIXEILFMXRQEJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.51
Rot. Bonds6

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

N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 902061) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID902061
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cccnc1N1CCN(CCO)CC1
InChIInChI=1S/C13H22N4O3S/c1-2-15-21(19,20)12-4-3-5-14-13(12)17-8-6-16(7-9-17)10-11-18/h3-5,15,18H,2,6-11H2,1H3
InChIKeyDWIXEILFMXRQEJ-UHFFFAOYSA-N
XLogP-0.51
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 902061) is N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide is CCNS(=O)(=O)c1cccnc1N1CCN(CCO)CC1.
What is the InChIKey of N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is DWIXEILFMXRQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-2-15-21(19,20)12-4-3-5-14-13(12)17-8-6-16(7-9-17)10-11-18/h3-5,15,18H,2,6-11H2,1H3.
What are the key properties of N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide?
N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 902061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).