N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide

C10H24N4O2S — CID 20705380

IUPACN-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNCCN1CCNCC1
InChIInChI=1S/C10H24N4O2S/c1-2-17(15,16)13-4-3-11-5-8-14-9-6-12-7-10-14/h11-13H,2-10H2,1H3
InChIKeyHPWZOZIZMBLULN-UHFFFAOYSA-N
MW264.39 g/mol
LogP-1.58
Rot. Bonds8

About N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide

N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide (PubChem CID 20705380) has the molecular formula C10H24N4O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide
PubChem CID20705380
Molecular FormulaC10H24N4O2S
Molecular Weight264.39 g/mol
Exact Mass264.16
IUPAC NameN-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNCCN1CCNCC1
InChIInChI=1S/C10H24N4O2S/c1-2-17(15,16)13-4-3-11-5-8-14-9-6-12-7-10-14/h11-13H,2-10H2,1H3
InChIKeyHPWZOZIZMBLULN-UHFFFAOYSA-N
XLogP-1.58
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide (CID 20705380) is N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNCCN1CCNCC1.
What is the InChIKey of N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide?
The InChIKey is HPWZOZIZMBLULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2S/c1-2-17(15,16)13-4-3-11-5-8-14-9-6-12-7-10-14/h11-13H,2-10H2,1H3.
What are the key properties of N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide?
N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of -1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-piperazin-1-ylethylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 20705380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).