1-methyl-5-pentylpyrrolidine-2-thione

C10H19NS — CID 14765438

IUPAC1-methyl-5-pentylpyrrolidine-2-thione
SMILESCCCCCC1CCC(=S)N1C
InChIInChI=1S/C10H19NS/c1-3-4-5-6-9-7-8-10(12)11(9)2/h9H,3-8H2,1-2H3
InChIKeyWLVSGSXWZVVTAF-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.99
Rot. Bonds4

About 1-methyl-5-pentylpyrrolidine-2-thione

1-methyl-5-pentylpyrrolidine-2-thione (PubChem CID 14765438) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-methyl-5-pentylpyrrolidine-2-thione.

Molecular Properties

Compound Name1-methyl-5-pentylpyrrolidine-2-thione
PubChem CID14765438
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-methyl-5-pentylpyrrolidine-2-thione
SMILESCCCCCC1CCC(=S)N1C
InChIInChI=1S/C10H19NS/c1-3-4-5-6-9-7-8-10(12)11(9)2/h9H,3-8H2,1-2H3
InChIKeyWLVSGSXWZVVTAF-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pentylpyrrolidine-2-thione?
The IUPAC name of 1-methyl-5-pentylpyrrolidine-2-thione (CID 14765438) is 1-methyl-5-pentylpyrrolidine-2-thione.
What is the SMILES notation for 1-methyl-5-pentylpyrrolidine-2-thione?
The canonical SMILES for 1-methyl-5-pentylpyrrolidine-2-thione is CCCCCC1CCC(=S)N1C.
What is the InChIKey of 1-methyl-5-pentylpyrrolidine-2-thione?
The InChIKey is WLVSGSXWZVVTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-4-5-6-9-7-8-10(12)11(9)2/h9H,3-8H2,1-2H3.
What are the key properties of 1-methyl-5-pentylpyrrolidine-2-thione?
1-methyl-5-pentylpyrrolidine-2-thione has a molecular weight of 185.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pentylpyrrolidine-2-thione is sourced from PubChem (CID 14765438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).