N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide

C11H26N4O2S — CID 20705381

IUPACN-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCNCCN1CCNCC1
InChIInChI=1S/C11H26N4O2S/c1-11(2)18(16,17)14-4-3-12-5-8-15-9-6-13-7-10-15/h11-14H,3-10H2,1-2H3
InChIKeyYJNFZGAGYSJFNU-UHFFFAOYSA-N
MW278.42 g/mol
LogP-1.19
Rot. Bonds8

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

N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide (PubChem CID 20705381) has the molecular formula C11H26N4O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide
PubChem CID20705381
Molecular FormulaC11H26N4O2S
Molecular Weight278.42 g/mol
Exact Mass278.18
IUPAC NameN-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCNCCN1CCNCC1
InChIInChI=1S/C11H26N4O2S/c1-11(2)18(16,17)14-4-3-12-5-8-15-9-6-13-7-10-15/h11-14H,3-10H2,1-2H3
InChIKeyYJNFZGAGYSJFNU-UHFFFAOYSA-N
XLogP-1.19
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 5-1.19
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]propane-2-sulfonamide?
The IUPAC name of N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide (CID 20705381) is N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCNCCN1CCNCC1.
What is the InChIKey of N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide?
The InChIKey is YJNFZGAGYSJFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S/c1-11(2)18(16,17)14-4-3-12-5-8-15-9-6-13-7-10-15/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide?
N-[2-(2-piperazin-1-ylethylamino)ethyl]propane-2-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of -1.19, 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]propane-2-sulfonamide is sourced from PubChem (CID 20705381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).