6-amino-5-cyclohexylpiperidine-3-thiol

C11H22N2S — CID 123925528

IUPAC6-amino-5-cyclohexylpiperidine-3-thiol
SMILESNC1NCC(S)CC1C1CCCCC1
InChIInChI=1S/C11H22N2S/c12-11-10(6-9(14)7-13-11)8-4-2-1-3-5-8/h8-11,13-14H,1-7,12H2
InChIKeyWGBFQFBJXZFELS-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.76
Rot. Bonds1

About 6-amino-5-cyclohexylpiperidine-3-thiol

6-amino-5-cyclohexylpiperidine-3-thiol (PubChem CID 123925528) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 6-amino-5-cyclohexylpiperidine-3-thiol.

Molecular Properties

Compound Name6-amino-5-cyclohexylpiperidine-3-thiol
PubChem CID123925528
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name6-amino-5-cyclohexylpiperidine-3-thiol
SMILESNC1NCC(S)CC1C1CCCCC1
InChIInChI=1S/C11H22N2S/c12-11-10(6-9(14)7-13-11)8-4-2-1-3-5-8/h8-11,13-14H,1-7,12H2
InChIKeyWGBFQFBJXZFELS-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-5-cyclohexylpiperidine-3-thiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyclohexylpiperidine-3-thiol?
The IUPAC name of 6-amino-5-cyclohexylpiperidine-3-thiol (CID 123925528) is 6-amino-5-cyclohexylpiperidine-3-thiol.
What is the SMILES notation for 6-amino-5-cyclohexylpiperidine-3-thiol?
The canonical SMILES for 6-amino-5-cyclohexylpiperidine-3-thiol is NC1NCC(S)CC1C1CCCCC1.
What is the InChIKey of 6-amino-5-cyclohexylpiperidine-3-thiol?
The InChIKey is WGBFQFBJXZFELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c12-11-10(6-9(14)7-13-11)8-4-2-1-3-5-8/h8-11,13-14H,1-7,12H2.
What are the key properties of 6-amino-5-cyclohexylpiperidine-3-thiol?
6-amino-5-cyclohexylpiperidine-3-thiol has a molecular weight of 214.38 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-cyclohexylpiperidine-3-thiol is sourced from PubChem (CID 123925528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).