2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine

C15H25N3O2S — CID 143882421

IUPAC2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine
SMILESCNCCN1CCN(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-7-8-17-9-11-18(12-10-17)13-14-21(19,20)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyOFIUXNYBXBTRJH-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.30
Rot. Bonds7

About 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine

2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine (PubChem CID 143882421) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine
PubChem CID143882421
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine
SMILESCNCCN1CCN(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-7-8-17-9-11-18(12-10-17)13-14-21(19,20)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyOFIUXNYBXBTRJH-UHFFFAOYSA-N
XLogP0.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine (CID 143882421) is 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine is CNCCN1CCN(CCS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine?
The InChIKey is OFIUXNYBXBTRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16-7-8-17-9-11-18(12-10-17)13-14-21(19,20)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3.
What are the key properties of 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine?
2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine has a molecular weight of 311.45 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine is sourced from PubChem (CID 143882421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).