3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione

C11H19N3S — CID 63318587

IUPAC3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione
SMILESCN(CCn1cc[nH]c1=S)C1CCCC1
InChIInChI=1S/C11H19N3S/c1-13(10-4-2-3-5-10)8-9-14-7-6-12-11(14)15/h6-7,10H,2-5,8-9H2,1H3,(H,12,15)
InChIKeyAOPURGPCWTUFPQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.42
Rot. Bonds4

About 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione

3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione (PubChem CID 63318587) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione
PubChem CID63318587
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione
SMILESCN(CCn1cc[nH]c1=S)C1CCCC1
InChIInChI=1S/C11H19N3S/c1-13(10-4-2-3-5-10)8-9-14-7-6-12-11(14)15/h6-7,10H,2-5,8-9H2,1H3,(H,12,15)
InChIKeyAOPURGPCWTUFPQ-UHFFFAOYSA-N
XLogP2.42
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione (CID 63318587) is 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione is CN(CCn1cc[nH]c1=S)C1CCCC1.
What is the InChIKey of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The InChIKey is AOPURGPCWTUFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-13(10-4-2-3-5-10)8-9-14-7-6-12-11(14)15/h6-7,10H,2-5,8-9H2,1H3,(H,12,15).
What are the key properties of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione has a molecular weight of 225.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 63318587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).