1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea

C13H24N2S — CID 116508996

IUPAC1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea
SMILESCC1CCC(NC(=S)NC2CCCC2)C1C
InChIInChI=1S/C13H24N2S/c1-9-7-8-12(10(9)2)15-13(16)14-11-5-3-4-6-11/h9-12H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyKNERSONWTMGDAO-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.83
Rot. Bonds2

About 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea

1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea (PubChem CID 116508996) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea
PubChem CID116508996
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea
SMILESCC1CCC(NC(=S)NC2CCCC2)C1C
InChIInChI=1S/C13H24N2S/c1-9-7-8-12(10(9)2)15-13(16)14-11-5-3-4-6-11/h9-12H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyKNERSONWTMGDAO-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-3-(2-methylcyclobutyl)thiourea
CID 131208942
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-methylthiourea
CID 7941565
N-cyclohexyl-2-[(2,3-dimethylcyclopentyl)amino]acetamide
CID 64908272
N-(2,3-dimethylcyclopentyl)cyclododecanamine
CID 64909972
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]thiourea
CID 124772547
1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea
CID 116508228
1-(cyclohexanecarbonylamino)-3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946131
N-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]carbamothioyl]cyclopropanecarboxamide
CID 7858471
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea
CID 116509599

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea (CID 116508996) is 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea is CC1CCC(NC(=S)NC2CCCC2)C1C.
What is the InChIKey of 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea?
The InChIKey is KNERSONWTMGDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9-7-8-12(10(9)2)15-13(16)14-11-5-3-4-6-11/h9-12H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea?
1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea has a molecular weight of 240.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea is sourced from PubChem (CID 116508996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).