1-(1-aminoethyl)cyclohexane-1-thiol

C8H17NS — CID 22286798

IUPAC1-(1-aminoethyl)cyclohexane-1-thiol
SMILESCC(N)C1(S)CCCCC1
InChIInChI=1S/C8H17NS/c1-7(9)8(10)5-3-2-4-6-8/h7,10H,2-6,9H2,1H3
InChIKeyCLHVBLZECRXHNG-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.97
Rot. Bonds1

About 1-(1-aminoethyl)cyclohexane-1-thiol

1-(1-aminoethyl)cyclohexane-1-thiol (PubChem CID 22286798) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-(1-aminoethyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name1-(1-aminoethyl)cyclohexane-1-thiol
PubChem CID22286798
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-(1-aminoethyl)cyclohexane-1-thiol
SMILESCC(N)C1(S)CCCCC1
InChIInChI=1S/C8H17NS/c1-7(9)8(10)5-3-2-4-6-8/h7,10H,2-6,9H2,1H3
InChIKeyCLHVBLZECRXHNG-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)cyclohexane-1-thiol?
The IUPAC name of 1-(1-aminoethyl)cyclohexane-1-thiol (CID 22286798) is 1-(1-aminoethyl)cyclohexane-1-thiol.
What is the SMILES notation for 1-(1-aminoethyl)cyclohexane-1-thiol?
The canonical SMILES for 1-(1-aminoethyl)cyclohexane-1-thiol is CC(N)C1(S)CCCCC1.
What is the InChIKey of 1-(1-aminoethyl)cyclohexane-1-thiol?
The InChIKey is CLHVBLZECRXHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(9)8(10)5-3-2-4-6-8/h7,10H,2-6,9H2,1H3.
What are the key properties of 1-(1-aminoethyl)cyclohexane-1-thiol?
1-(1-aminoethyl)cyclohexane-1-thiol has a molecular weight of 159.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)cyclohexane-1-thiol is sourced from PubChem (CID 22286798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).