5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane

C24H48N2O3S2 — CID 21128125

IUPAC5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane
SMILESO=S(=O)(OCCNCCCCCC1CCCC1)SCCNCCCCCC1CCCC1
InChIInChI=1S/C24H48N2O3S2/c27-31(28,29-21-19-25-17-9-1-3-11-23-13-5-6-14-23)30-22-20-26-18-10-2-4-12-24-15-7-8-16-24/h23-26H,1-22H2
InChIKeyHZIJAJGWESKDCW-UHFFFAOYSA-N
MW476.79 g/mol
LogP5.66
Rot. Bonds20

About 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane

5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane (PubChem CID 21128125) has the molecular formula C24H48N2O3S2 and a molecular weight of 476.79 g/mol. Its IUPAC name is 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane.

Molecular Properties

Compound Name5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane
PubChem CID21128125
Molecular FormulaC24H48N2O3S2
Molecular Weight476.79 g/mol
Exact Mass476.31
IUPAC Name5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane
SMILESO=S(=O)(OCCNCCCCCC1CCCC1)SCCNCCCCCC1CCCC1
InChIInChI=1S/C24H48N2O3S2/c27-31(28,29-21-19-25-17-9-1-3-11-23-13-5-6-14-23)30-22-20-26-18-10-2-4-12-24-15-7-8-16-24/h23-26H,1-22H2
InChIKeyHZIJAJGWESKDCW-UHFFFAOYSA-N
XLogP5.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane?
The IUPAC name of 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane (CID 21128125) is 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane.
What is the SMILES notation for 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane?
The canonical SMILES for 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane is O=S(=O)(OCCNCCCCCC1CCCC1)SCCNCCCCCC1CCCC1.
What is the InChIKey of 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane?
The InChIKey is HZIJAJGWESKDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O3S2/c27-31(28,29-21-19-25-17-9-1-3-11-23-13-5-6-14-23)30-22-20-26-18-10-2-4-12-24-15-7-8-16-24/h23-26H,1-22H2.
What are the key properties of 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane?
5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane has a molecular weight of 476.79 g/mol, XLogP of 5.66, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(5-cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane is sourced from PubChem (CID 21128125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).