2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane

C20H40N2O3S2 — CID 21128119

IUPAC2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane
SMILESO=S(=O)(OCCNCCC1CCCCC1)SCCNCCC1CCCCC1
InChIInChI=1S/C20H40N2O3S2/c23-27(24,25-17-15-21-13-11-19-7-3-1-4-8-19)26-18-16-22-14-12-20-9-5-2-6-10-20/h19-22H,1-18H2
InChIKeyHPYUJEGVRSDNGD-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.10
Rot. Bonds14

About 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane

2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane (PubChem CID 21128119) has the molecular formula C20H40N2O3S2 and a molecular weight of 420.69 g/mol. Its IUPAC name is 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane.

Molecular Properties

Compound Name2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane
PubChem CID21128119
Molecular FormulaC20H40N2O3S2
Molecular Weight420.69 g/mol
Exact Mass420.25
IUPAC Name2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane
SMILESO=S(=O)(OCCNCCC1CCCCC1)SCCNCCC1CCCCC1
InChIInChI=1S/C20H40N2O3S2/c23-27(24,25-17-15-21-13-11-19-7-3-1-4-8-19)26-18-16-22-14-12-20-9-5-2-6-10-20/h19-22H,1-18H2
InChIKeyHPYUJEGVRSDNGD-UHFFFAOYSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.10
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

4-cyclohexyl-N-[2-[2-(4-cyclohexylbutylamino)ethylsulfonylsulfanyl]ethyl]butan-1-amine
CID 197886
2-[[1-[[1-[(2-Hydroxyethylamino)methyl]cyclohexyl]disulfanyl]cyclohexyl]methylamino]ethanol
CID 10690967
5-[2-[2-(5-Cyclohexylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclohexane
CID 21117158
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
1-Methoxy-2-[4-[2-[2-[4-(2-methoxycyclohexyl)butylamino]ethylsulfanylsulfonyloxy]ethylamino]butyl]cyclohexane
CID 21127970
5-[2-[2-(5-Cyclobutylpentylamino)ethylsulfanylsulfonyloxy]ethylamino]pentylcyclobutane
CID 21127972
[2-[2-(Cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane
CID 21128116
3-[2-[2-(3-Cyclobutylpropylamino)ethylsulfanylsulfonyloxy]ethylamino]propylcyclobutane
CID 21128117
[2-[2-(Cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane
CID 21128118
3-[2-[2-(3-Cyclohexylpropylamino)ethylsulfanylsulfonyloxy]ethylamino]propylcyclohexane
CID 21128121
2-[2-[2-(2-Cycloheptylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcycloheptane
CID 21128122

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane?
The IUPAC name of 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane (CID 21128119) is 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane.
What is the SMILES notation for 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane?
The canonical SMILES for 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane is O=S(=O)(OCCNCCC1CCCCC1)SCCNCCC1CCCCC1.
What is the InChIKey of 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane?
The InChIKey is HPYUJEGVRSDNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O3S2/c23-27(24,25-17-15-21-13-11-19-7-3-1-4-8-19)26-18-16-22-14-12-20-9-5-2-6-10-20/h19-22H,1-18H2.
What are the key properties of 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane?
2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane has a molecular weight of 420.69 g/mol, XLogP of 4.10, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane is sourced from PubChem (CID 21128119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).