5-aminoadamantane-2-thiol

C10H17NS — CID 51038894

IUPAC5-aminoadamantane-2-thiol
SMILESNC12CC3CC(C1)C(S)C(C3)C2
InChIInChI=1S/C10H17NS/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5,11H2
InChIKeyJOXAWPDTOBTOPZ-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.82
Rot. Bonds

About 5-aminoadamantane-2-thiol

5-aminoadamantane-2-thiol (PubChem CID 51038894) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-aminoadamantane-2-thiol.

Molecular Properties

Compound Name5-aminoadamantane-2-thiol
PubChem CID51038894
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-aminoadamantane-2-thiol
SMILESNC12CC3CC(C1)C(S)C(C3)C2
InChIInChI=1S/C10H17NS/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5,11H2
InChIKeyJOXAWPDTOBTOPZ-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.82
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 5-aminoadamantane-2-thiol?
The IUPAC name of 5-aminoadamantane-2-thiol (CID 51038894) is 5-aminoadamantane-2-thiol.
What is the SMILES notation for 5-aminoadamantane-2-thiol?
The canonical SMILES for 5-aminoadamantane-2-thiol is NC12CC3CC(C1)C(S)C(C3)C2.
What is the InChIKey of 5-aminoadamantane-2-thiol?
The InChIKey is JOXAWPDTOBTOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5,11H2.
What are the key properties of 5-aminoadamantane-2-thiol?
5-aminoadamantane-2-thiol has a molecular weight of 183.32 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoadamantane-2-thiol is sourced from PubChem (CID 51038894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).