[2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane

C16H32N2O3S2 — CID 21128116

IUPAC[2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane
SMILESO=S(=O)(OCCNC1CCCCC1)SCCNC1CCCCC1
InChIInChI=1S/C16H32N2O3S2/c19-23(20,21-13-11-17-15-7-3-1-4-8-15)22-14-12-18-16-9-5-2-6-10-16/h15-18H,1-14H2
InChIKeyOXUWOXSSVSFVTF-UHFFFAOYSA-N
MW364.58 g/mol
LogP2.83
Rot. Bonds10

About [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane

[2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane (PubChem CID 21128116) has the molecular formula C16H32N2O3S2 and a molecular weight of 364.58 g/mol. Its IUPAC name is [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane.

Molecular Properties

Compound Name[2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane
PubChem CID21128116
Molecular FormulaC16H32N2O3S2
Molecular Weight364.58 g/mol
Exact Mass364.19
IUPAC Name[2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane
SMILESO=S(=O)(OCCNC1CCCCC1)SCCNC1CCCCC1
InChIInChI=1S/C16H32N2O3S2/c19-23(20,21-13-11-17-15-7-3-1-4-8-15)22-14-12-18-16-9-5-2-6-10-16/h15-18H,1-14H2
InChIKeyOXUWOXSSVSFVTF-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane?
The IUPAC name of [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane (CID 21128116) is [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane.
What is the SMILES notation for [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane?
The canonical SMILES for [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane is O=S(=O)(OCCNC1CCCCC1)SCCNC1CCCCC1.
What is the InChIKey of [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane?
The InChIKey is OXUWOXSSVSFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S2/c19-23(20,21-13-11-17-15-7-3-1-4-8-15)22-14-12-18-16-9-5-2-6-10-16/h15-18H,1-14H2.
What are the key properties of [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane?
[2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane has a molecular weight of 364.58 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexylamino)ethylsulfanylsulfonyloxy]ethylamino]cyclohexane is sourced from PubChem (CID 21128116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).