1-methylpyrrolidine-2-thione

C5H9NS — CID 575447

IUPAC1-methylpyrrolidine-2-thione
SMILESCN1CCCC1=S
InChIInChI=1S/C5H9NS/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKeyOQILOJRSIWGQSM-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.04
Rot. Bonds

About 1-methylpyrrolidine-2-thione

1-methylpyrrolidine-2-thione (PubChem CID 575447) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 1-methylpyrrolidine-2-thione.

Molecular Properties

Compound Name1-methylpyrrolidine-2-thione
PubChem CID575447
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name1-methylpyrrolidine-2-thione
SMILESCN1CCCC1=S
InChIInChI=1S/C5H9NS/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKeyOQILOJRSIWGQSM-UHFFFAOYSA-N
XLogP1.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylpyrrolidine-2-thione?
The IUPAC name of 1-methylpyrrolidine-2-thione (CID 575447) is 1-methylpyrrolidine-2-thione.
What is the SMILES notation for 1-methylpyrrolidine-2-thione?
The canonical SMILES for 1-methylpyrrolidine-2-thione is CN1CCCC1=S.
What is the InChIKey of 1-methylpyrrolidine-2-thione?
The InChIKey is OQILOJRSIWGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-6-4-2-3-5(6)7/h2-4H2,1H3.
What are the key properties of 1-methylpyrrolidine-2-thione?
1-methylpyrrolidine-2-thione has a molecular weight of 115.20 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine-2-thione is sourced from PubChem (CID 575447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).