pyrrolidin-2-ylmethanethiol

C5H11NS — CID 15793333

IUPACpyrrolidin-2-ylmethanethiol
SMILESSCC1CCCN1
InChIInChI=1S/C5H11NS/c7-4-5-2-1-3-6-5/h5-7H,1-4H2
InChIKeyLKQWWEHOLGUDAQ-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.67
Rot. Bonds1

About pyrrolidin-2-ylmethanethiol

pyrrolidin-2-ylmethanethiol (PubChem CID 15793333) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is pyrrolidin-2-ylmethanethiol.

Molecular Properties

Compound Namepyrrolidin-2-ylmethanethiol
PubChem CID15793333
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namepyrrolidin-2-ylmethanethiol
SMILESSCC1CCCN1
InChIInChI=1S/C5H11NS/c7-4-5-2-1-3-6-5/h5-7H,1-4H2
InChIKeyLKQWWEHOLGUDAQ-UHFFFAOYSA-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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Related Compounds

CID 18724132
CID 18724132
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
(2S)-2-(2-chloroethyl)pyrrolidine
CID 11367237
2-pyrrolidin-2-ylethanamine
CID 14030009
1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
CID 123192463
ethane;(2R)-2-propylpyrrolidine
CID 155717204
O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium
CID 10986547
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987
methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide
CID 90743593

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-ylmethanethiol?
The IUPAC name of pyrrolidin-2-ylmethanethiol (CID 15793333) is pyrrolidin-2-ylmethanethiol.
What is the SMILES notation for pyrrolidin-2-ylmethanethiol?
The canonical SMILES for pyrrolidin-2-ylmethanethiol is SCC1CCCN1.
What is the InChIKey of pyrrolidin-2-ylmethanethiol?
The InChIKey is LKQWWEHOLGUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c7-4-5-2-1-3-6-5/h5-7H,1-4H2.
What are the key properties of pyrrolidin-2-ylmethanethiol?
pyrrolidin-2-ylmethanethiol 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 pyrrolidin-2-ylmethanethiol is sourced from PubChem (CID 15793333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).