1-(hydroxymethyl)pyrrolidine-2-thione

C5H9NOS — CID 154122654

IUPAC1-(hydroxymethyl)pyrrolidine-2-thione
SMILESOCN1CCCC1=S
InChIInChI=1S/C5H9NOS/c7-4-6-3-1-2-5(6)8/h7H,1-4H2
InChIKeyJTYIGLPDXIQUDU-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.36
Rot. Bonds1

About 1-(hydroxymethyl)pyrrolidine-2-thione

1-(hydroxymethyl)pyrrolidine-2-thione (PubChem CID 154122654) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 1-(hydroxymethyl)pyrrolidine-2-thione.

Molecular Properties

Compound Name1-(hydroxymethyl)pyrrolidine-2-thione
PubChem CID154122654
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name1-(hydroxymethyl)pyrrolidine-2-thione
SMILESOCN1CCCC1=S
InChIInChI=1S/C5H9NOS/c7-4-6-3-1-2-5(6)8/h7H,1-4H2
InChIKeyJTYIGLPDXIQUDU-UHFFFAOYSA-N
XLogP0.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)pyrrolidine-2-thione?
The IUPAC name of 1-(hydroxymethyl)pyrrolidine-2-thione (CID 154122654) is 1-(hydroxymethyl)pyrrolidine-2-thione.
What is the SMILES notation for 1-(hydroxymethyl)pyrrolidine-2-thione?
The canonical SMILES for 1-(hydroxymethyl)pyrrolidine-2-thione is OCN1CCCC1=S.
What is the InChIKey of 1-(hydroxymethyl)pyrrolidine-2-thione?
The InChIKey is JTYIGLPDXIQUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c7-4-6-3-1-2-5(6)8/h7H,1-4H2.
What are the key properties of 1-(hydroxymethyl)pyrrolidine-2-thione?
1-(hydroxymethyl)pyrrolidine-2-thione has a molecular weight of 131.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)pyrrolidine-2-thione is sourced from PubChem (CID 154122654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).