1-methyl-5-propylpyrrolidine-2-thione

C8H15NS — CID 12522067

IUPAC1-methyl-5-propylpyrrolidine-2-thione
SMILESCCCC1CCC(=S)N1C
InChIInChI=1S/C8H15NS/c1-3-4-7-5-6-8(10)9(7)2/h7H,3-6H2,1-2H3
InChIKeyQFZLMHZTDYEXRV-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.21
Rot. Bonds2

About 1-methyl-5-propylpyrrolidine-2-thione

1-methyl-5-propylpyrrolidine-2-thione (PubChem CID 12522067) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-methyl-5-propylpyrrolidine-2-thione.

Molecular Properties

Compound Name1-methyl-5-propylpyrrolidine-2-thione
PubChem CID12522067
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-methyl-5-propylpyrrolidine-2-thione
SMILESCCCC1CCC(=S)N1C
InChIInChI=1S/C8H15NS/c1-3-4-7-5-6-8(10)9(7)2/h7H,3-6H2,1-2H3
InChIKeyQFZLMHZTDYEXRV-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.21
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-methyl-5-propylpyrrolidine-2-thione?
The IUPAC name of 1-methyl-5-propylpyrrolidine-2-thione (CID 12522067) is 1-methyl-5-propylpyrrolidine-2-thione.
What is the SMILES notation for 1-methyl-5-propylpyrrolidine-2-thione?
The canonical SMILES for 1-methyl-5-propylpyrrolidine-2-thione is CCCC1CCC(=S)N1C.
What is the InChIKey of 1-methyl-5-propylpyrrolidine-2-thione?
The InChIKey is QFZLMHZTDYEXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-4-7-5-6-8(10)9(7)2/h7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-5-propylpyrrolidine-2-thione?
1-methyl-5-propylpyrrolidine-2-thione has a molecular weight of 157.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propylpyrrolidine-2-thione is sourced from PubChem (CID 12522067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).