1-cyclopentylpyrrolidine-3-thiol

C9H17NS — CID 18792683

IUPAC1-cyclopentylpyrrolidine-3-thiol
SMILESSC1CCN(C2CCCC2)C1
InChIInChI=1S/C9H17NS/c11-9-5-6-10(7-9)8-3-1-2-4-8/h8-9,11H,1-7H2
InChIKeyXKVYLHYEOLZYGI-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.93
Rot. Bonds1

About 1-cyclopentylpyrrolidine-3-thiol

1-cyclopentylpyrrolidine-3-thiol (PubChem CID 18792683) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-cyclopentylpyrrolidine-3-thiol.

Molecular Properties

Compound Name1-cyclopentylpyrrolidine-3-thiol
PubChem CID18792683
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-cyclopentylpyrrolidine-3-thiol
SMILESSC1CCN(C2CCCC2)C1
InChIInChI=1S/C9H17NS/c11-9-5-6-10(7-9)8-3-1-2-4-8/h8-9,11H,1-7H2
InChIKeyXKVYLHYEOLZYGI-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
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-cyclopentylpyrrolidine-3-thiol?
The IUPAC name of 1-cyclopentylpyrrolidine-3-thiol (CID 18792683) is 1-cyclopentylpyrrolidine-3-thiol.
What is the SMILES notation for 1-cyclopentylpyrrolidine-3-thiol?
The canonical SMILES for 1-cyclopentylpyrrolidine-3-thiol is SC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentylpyrrolidine-3-thiol?
The InChIKey is XKVYLHYEOLZYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c11-9-5-6-10(7-9)8-3-1-2-4-8/h8-9,11H,1-7H2.
What are the key properties of 1-cyclopentylpyrrolidine-3-thiol?
1-cyclopentylpyrrolidine-3-thiol has a molecular weight of 171.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpyrrolidine-3-thiol is sourced from PubChem (CID 18792683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).