3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol

C7H14FNS — CID 130437346

IUPAC3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol
SMILESF[C@H]1CCN(CCCS)C1
InChIInChI=1S/C7H14FNS/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6H2/t7-/m0/s1
InChIKeyDKUKVHZREVMKPA-ZETCQYMHSA-N
MW163.26 g/mol
LogP1.35
Rot. Bonds3

About 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol

3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol (PubChem CID 130437346) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol.

Molecular Properties

Compound Name3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol
PubChem CID130437346
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol
SMILESF[C@H]1CCN(CCCS)C1
InChIInChI=1S/C7H14FNS/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6H2/t7-/m0/s1
InChIKeyDKUKVHZREVMKPA-ZETCQYMHSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.35
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 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol?
The IUPAC name of 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol (CID 130437346) is 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol.
What is the SMILES notation for 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol?
The canonical SMILES for 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol is F[C@H]1CCN(CCCS)C1.
What is the InChIKey of 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol?
The InChIKey is DKUKVHZREVMKPA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNS/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6H2/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol?
3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol has a molecular weight of 163.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-fluoropyrrolidin-1-yl]propane-1-thiol is sourced from PubChem (CID 130437346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).