5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane

C26H52N2O3S2 — CID 21117158

IUPAC5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane
SMILESO=S(=O)(OCCNCCCCCC1CCCCC1)SCCNCCCCCC1CCCCC1
InChIInChI=1S/C26H52N2O3S2/c29-33(30,31-23-21-27-19-11-3-9-17-25-13-5-1-6-14-25)32-24-22-28-20-12-4-10-18-26-15-7-2-8-16-26/h25-28H,1-24H2
InChIKeyFHYHLWMSFMUXBY-UHFFFAOYSA-N
MW504.85 g/mol
LogP6.44
Rot. Bonds20

About 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane

5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane (PubChem CID 21117158) has the molecular formula C26H52N2O3S2 and a molecular weight of 504.85 g/mol. Its IUPAC name is 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane.

Molecular Properties

Compound Name5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane
PubChem CID21117158
Molecular FormulaC26H52N2O3S2
Molecular Weight504.85 g/mol
Exact Mass504.34
IUPAC Name5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane
SMILESO=S(=O)(OCCNCCCCCC1CCCCC1)SCCNCCCCCC1CCCCC1
InChIInChI=1S/C26H52N2O3S2/c29-33(30,31-23-21-27-19-11-3-9-17-25-13-5-1-6-14-25)32-24-22-28-20-12-4-10-18-26-15-7-2-8-16-26/h25-28H,1-24H2
InChIKeyFHYHLWMSFMUXBY-UHFFFAOYSA-N
XLogP6.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.85
LogP ≤ 56.44
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'}

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Related Compounds

1-Methyl-4-[4-[2-[2-[4-(4-methylcyclohexyl)butylamino]ethylsulfanylsulfonyloxy]ethylamino]butyl]cyclohexane
CID 21117159
4-[2-[2-(4-Cyclohexylbutylamino)ethylsulfanylsulfonyloxy]ethylamino]butylcyclohexane
CID 21117535
5-[2-[2-(5-Cyclobutylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclobutane
CID 21127972
[2-[2-(Cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane
CID 21128118
2-[2-[2-(2-Cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane
CID 21128119
3-[2-[2-(3-Cyclohexylpropylamino)ethylsulfanylsulfonyloxy]ethylamino]propylcyclohexane
CID 21128121
2-[2-[2-(2-Cycloheptylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcycloheptane
CID 21128122
5-[2-[2-(5-Cyclopentylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclopentane
CID 21128125
1-Methyl-3-[4-[2-[2-[4-(3-methylcyclohexyl)butylamino]ethylsulfanylsulfonyloxy]ethylamino]butyl]cyclohexane
CID 21128126
[(2S)-1-[2-[2-[[(2S)-2-cyclohexylpentyl]amino]ethylsulfanylsulfonyloxy]ethylamino]pentan-2-yl]cyclohexane
CID 21128127
4-[2-[2-(4-Cycloheptylbutylamino)ethylsulfanylsulfonyloxy]ethylamino]butylcycloheptane
CID 21128128
7-[2-[2-(7-Cyclopentylheptylamino)ethylsulfanylsulfonyloxy]ethylamino]heptylcyclopentane
CID 21128130

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane?
The IUPAC name of 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane (CID 21117158) is 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane.
What is the SMILES notation for 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane?
The canonical SMILES for 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane is O=S(=O)(OCCNCCCCCC1CCCCC1)SCCNCCCCCC1CCCCC1.
What is the InChIKey of 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane?
The InChIKey is FHYHLWMSFMUXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O3S2/c29-33(30,31-23-21-27-19-11-3-9-17-25-13-5-1-6-14-25)32-24-22-28-20-12-4-10-18-26-15-7-2-8-16-26/h25-28H,1-24H2.
What are the key properties of 5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane?
5-[2-[2-(5-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane has a molecular weight of 504.85 g/mol, XLogP of 6.44, 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-cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane is sourced from PubChem (CID 21117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).