[(2S)-pyrrolidin-2-yl]methanethiol

C5H11NS — CID 10374446

IUPAC[(2S)-pyrrolidin-2-yl]methanethiol
SMILESSC[C@@H]1CCCN1
InChIInChI=1S/C5H11NS/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
InChIKeyLKQWWEHOLGUDAQ-YFKPBYRVSA-N
MW117.22 g/mol
LogP0.67
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]methanethiol

[(2S)-pyrrolidin-2-yl]methanethiol (PubChem CID 10374446) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methanethiol.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methanethiol
PubChem CID10374446
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name[(2S)-pyrrolidin-2-yl]methanethiol
SMILESSC[C@@H]1CCCN1
InChIInChI=1S/C5H11NS/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
InChIKeyLKQWWEHOLGUDAQ-YFKPBYRVSA-N
XLogP0.67
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.67
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 [(2S)-pyrrolidin-2-yl]methanethiol?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methanethiol (CID 10374446) is [(2S)-pyrrolidin-2-yl]methanethiol.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methanethiol?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methanethiol is SC[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methanethiol?
The InChIKey is LKQWWEHOLGUDAQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NS/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methanethiol?
[(2S)-pyrrolidin-2-yl]methanethiol has a molecular weight of 117.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methanethiol is sourced from PubChem (CID 10374446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).