3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione

C10H17N3S — CID 105419235

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione
SMILESCN(C)C1(Cn2cc[nH]c2=S)CCC1
InChIInChI=1S/C10H17N3S/c1-12(2)10(4-3-5-10)8-13-7-6-11-9(13)14/h6-7H,3-5,8H2,1-2H3,(H,11,14)
InChIKeyYCOLSDHIWWMGGH-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.03
Rot. Bonds3

About 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione

3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione (PubChem CID 105419235) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione
PubChem CID105419235
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione
SMILESCN(C)C1(Cn2cc[nH]c2=S)CCC1
InChIInChI=1S/C10H17N3S/c1-12(2)10(4-3-5-10)8-13-7-6-11-9(13)14/h6-7H,3-5,8H2,1-2H3,(H,11,14)
InChIKeyYCOLSDHIWWMGGH-UHFFFAOYSA-N
XLogP2.03
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclobutylmethyl)-1,3-dihydro-2H-imidazole-2-thione
CID 43298787
3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione
CID 61480438
3-[1-(dimethylamino)-4-methylpentan-2-yl]-1H-imidazole-2-thione
CID 61512339
3-[2-(dimethylamino)-2-methylpropyl]-1H-imidazole-2-thione
CID 61659438
3-(2,4,4-trimethylpentan-2-yl)-1H-imidazole-2-thione
CID 61667382
3-(4-methylpentyl)-1H-imidazole-2-thione
CID 63003167
3-(3-ethylpentan-3-yl)-1H-imidazole-2-thione
CID 65038733
3-[[1-(dimethylamino)cyclopentyl]methyl]-1H-imidazole-2-thione
CID 83113447
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-methylthiourea
CID 105413211
1-[[1-(Dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea
CID 105413660
3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione
CID 105419787
3-[[1-(dimethylamino)cyclobutyl]methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 105419789

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione (CID 105419235) is 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione is CN(C)C1(Cn2cc[nH]c2=S)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione?
The InChIKey is YCOLSDHIWWMGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-12(2)10(4-3-5-10)8-13-7-6-11-9(13)14/h6-7H,3-5,8H2,1-2H3,(H,11,14).
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione?
3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione has a molecular weight of 211.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 105419235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).