2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide

C11H20N4O2S2 — CID 63826102

IUPAC2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCCc1cscn1
InChIInChI=1S/C11H20N4O2S2/c16-19(17,8-7-15-5-3-12-4-6-15)14-2-1-11-9-18-10-13-11/h9-10,12,14H,1-8H2
InChIKeyNWRGTSJGSWOVTE-UHFFFAOYSA-N
MW304.44 g/mol
LogP-0.49
Rot. Bonds7

About 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide

2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 63826102) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
PubChem CID63826102
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCCc1cscn1
InChIInChI=1S/C11H20N4O2S2/c16-19(17,8-7-15-5-3-12-4-6-15)14-2-1-11-9-18-10-13-11/h9-10,12,14H,1-8H2
InChIKeyNWRGTSJGSWOVTE-UHFFFAOYSA-N
XLogP-0.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 55012319
1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63825222
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637
N-(1,3-thiazol-4-ylmethyl)piperazine-1-sulfonamide
CID 63823781
N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
CID 79756190
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 55170339
methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate
CID 63830812
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 81176676
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 106373825
N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
CID 120874591
4-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 63824117
3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide (CID 63826102) is 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide is O=S(=O)(CCN1CCNCC1)NCCc1cscn1.
What is the InChIKey of 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is NWRGTSJGSWOVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c16-19(17,8-7-15-5-3-12-4-6-15)14-2-1-11-9-18-10-13-11/h9-10,12,14H,1-8H2.
What are the key properties of 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide?
2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 304.44 g/mol, XLogP of -0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 63826102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).