2-(2-cyclohexylethylamino)ethanethiol

C10H21NS — CID 22723262

IUPAC2-(2-cyclohexylethylamino)ethanethiol
SMILESSCCNCCC1CCCCC1
InChIInChI=1S/C10H21NS/c12-9-8-11-7-6-10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyPXXMZZRNWMDZEK-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.48
Rot. Bonds5

About 2-(2-cyclohexylethylamino)ethanethiol

2-(2-cyclohexylethylamino)ethanethiol (PubChem CID 22723262) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-(2-cyclohexylethylamino)ethanethiol.

Molecular Properties

Compound Name2-(2-cyclohexylethylamino)ethanethiol
PubChem CID22723262
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-(2-cyclohexylethylamino)ethanethiol
SMILESSCCNCCC1CCCCC1
InChIInChI=1S/C10H21NS/c12-9-8-11-7-6-10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyPXXMZZRNWMDZEK-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethylamino)ethanethiol?
The IUPAC name of 2-(2-cyclohexylethylamino)ethanethiol (CID 22723262) is 2-(2-cyclohexylethylamino)ethanethiol.
What is the SMILES notation for 2-(2-cyclohexylethylamino)ethanethiol?
The canonical SMILES for 2-(2-cyclohexylethylamino)ethanethiol is SCCNCCC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylethylamino)ethanethiol?
The InChIKey is PXXMZZRNWMDZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c12-9-8-11-7-6-10-4-2-1-3-5-10/h10-12H,1-9H2.
What are the key properties of 2-(2-cyclohexylethylamino)ethanethiol?
2-(2-cyclohexylethylamino)ethanethiol has a molecular weight of 187.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylamino)ethanethiol is sourced from PubChem (CID 22723262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).