1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione

C9H15NS — CID 58059482

IUPAC1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione
SMILESCNC1=C(CC(C)=S)CCC1
InChIInChI=1S/C9H15NS/c1-7(11)6-8-4-3-5-9(8)10-2/h10H,3-6H2,1-2H3
InChIKeyRZOAWNWRLYWAGY-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.42
Rot. Bonds3

About 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione

1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione (PubChem CID 58059482) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione.

Molecular Properties

Compound Name1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione
PubChem CID58059482
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione
SMILESCNC1=C(CC(C)=S)CCC1
InChIInChI=1S/C9H15NS/c1-7(11)6-8-4-3-5-9(8)10-2/h10H,3-6H2,1-2H3
InChIKeyRZOAWNWRLYWAGY-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione?
The IUPAC name of 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione (CID 58059482) is 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione.
What is the SMILES notation for 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione?
The canonical SMILES for 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione is CNC1=C(CC(C)=S)CCC1.
What is the InChIKey of 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione?
The InChIKey is RZOAWNWRLYWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(11)6-8-4-3-5-9(8)10-2/h10H,3-6H2,1-2H3.
What are the key properties of 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione?
1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione has a molecular weight of 169.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)cyclopenten-1-yl]propane-2-thione is sourced from PubChem (CID 58059482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).