1-cyclohexylsulfanylethanamine

C8H17NS — CID 22450260

IUPAC1-cyclohexylsulfanylethanamine
SMILESCC(N)SC1CCCCC1
InChIInChI=1S/C8H17NS/c1-7(9)10-8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3
InChIKeyACNXKBJOXXUZJF-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.36
Rot. Bonds2

About 1-cyclohexylsulfanylethanamine

1-cyclohexylsulfanylethanamine (PubChem CID 22450260) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-cyclohexylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexylsulfanylethanamine
PubChem CID22450260
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-cyclohexylsulfanylethanamine
SMILESCC(N)SC1CCCCC1
InChIInChI=1S/C8H17NS/c1-7(9)10-8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3
InChIKeyACNXKBJOXXUZJF-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanylethanamine?
The IUPAC name of 1-cyclohexylsulfanylethanamine (CID 22450260) is 1-cyclohexylsulfanylethanamine.
What is the SMILES notation for 1-cyclohexylsulfanylethanamine?
The canonical SMILES for 1-cyclohexylsulfanylethanamine is CC(N)SC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanylethanamine?
The InChIKey is ACNXKBJOXXUZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(9)10-8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-cyclohexylsulfanylethanamine?
1-cyclohexylsulfanylethanamine has a molecular weight of 159.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanylethanamine is sourced from PubChem (CID 22450260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).