[2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane

C18H36N2O3S2 — CID 21128118

IUPAC[2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane
SMILESO=S(=O)(OCCNCC1CCCCC1)SCCNCC1CCCCC1
InChIInChI=1S/C18H36N2O3S2/c21-25(22,23-13-11-19-15-17-7-3-1-4-8-17)24-14-12-20-16-18-9-5-2-6-10-18/h17-20H,1-16H2
InChIKeyWODHGNMVRAADMB-UHFFFAOYSA-N
MW392.63 g/mol
LogP3.32
Rot. Bonds12

About [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane

[2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane (PubChem CID 21128118) has the molecular formula C18H36N2O3S2 and a molecular weight of 392.63 g/mol. Its IUPAC name is [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane.

Molecular Properties

Compound Name[2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane
PubChem CID21128118
Molecular FormulaC18H36N2O3S2
Molecular Weight392.63 g/mol
Exact Mass392.22
IUPAC Name[2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane
SMILESO=S(=O)(OCCNCC1CCCCC1)SCCNCC1CCCCC1
InChIInChI=1S/C18H36N2O3S2/c21-25(22,23-13-11-19-15-17-7-3-1-4-8-17)24-14-12-20-16-18-9-5-2-6-10-18/h17-20H,1-16H2
InChIKeyWODHGNMVRAADMB-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 53.32
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 [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

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
[2-[2-(Cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane
CID 21128116
3-[2-[2-(3-Cyclobutylpropylamino)ethylsulfanylsulfonyloxy]ethylamino]propylcyclobutane
CID 21128117
2-[2-[2-(2-Cyclohexylethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethylcyclohexane
CID 21128119
3-[2-[2-(3-Cyclohexylpropylamino)ethylsulfanylsulfonyloxy]ethylamino]propylcyclohexane
CID 21128121
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
6-[2-[2-(6-Cyclohexylhexylamino)ethylsulfanylsulfonyloxy]ethylamino]hexylcyclohexane
CID 21128131
1-Ethyl-4-[4-[2-[2-[4-(4-ethylcyclohexyl)butylamino]ethylsulfanylsulfonyloxy]ethylamino]butyl]cyclohexane
CID 21128132

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane?
The IUPAC name of [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane (CID 21128118) is [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane.
What is the SMILES notation for [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane?
The canonical SMILES for [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane is O=S(=O)(OCCNCC1CCCCC1)SCCNCC1CCCCC1.
What is the InChIKey of [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane?
The InChIKey is WODHGNMVRAADMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3S2/c21-25(22,23-13-11-19-15-17-7-3-1-4-8-17)24-14-12-20-16-18-9-5-2-6-10-18/h17-20H,1-16H2.
What are the key properties of [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane?
[2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane has a molecular weight of 392.63 g/mol, XLogP of 3.32, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexylmethylamino)ethylsulfanylsulfonyloxy]ethylamino]methylcyclohexane is sourced from PubChem (CID 21128118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).