1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea

C13H24N2S — CID 116508698

IUPAC1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
SMILESCC1(CNC(=S)NC2CCCC2)CCCC1
InChIInChI=1S/C13H24N2S/c1-13(8-4-5-9-13)10-14-12(16)15-11-6-2-3-7-11/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyARRAOQUMHMWBQL-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.97
Rot. Bonds3

About 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea

1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea (PubChem CID 116508698) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
PubChem CID116508698
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
SMILESCC1(CNC(=S)NC2CCCC2)CCCC1
InChIInChI=1S/C13H24N2S/c1-13(8-4-5-9-13)10-14-12(16)15-11-6-2-3-7-11/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyARRAOQUMHMWBQL-UHFFFAOYSA-N
XLogP2.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.97
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-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea
CID 103975342
1-cyclohexyl-3-[(1-methylsulfanylcyclopropyl)methyl]thiourea
CID 107265764
1-cyclohexyl-3-[(1R,3S)-3-[(cyclohexylcarbamothioylamino)methyl]-3,5,5-trimethylcyclohexyl]thiourea
CID 101410739
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 113360608
1-cyclopentyl-3-(1-methylcyclopentyl)thiourea
CID 116508968
1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea
CID 115687367
1-(4,4-dimethylcyclohexyl)-3-ethylthiourea
CID 115647000
1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
CID 115618763
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea (CID 116508698) is 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea is CC1(CNC(=S)NC2CCCC2)CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea?
The InChIKey is ARRAOQUMHMWBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-13(8-4-5-9-13)10-14-12(16)15-11-6-2-3-7-11/h11H,2-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea?
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea has a molecular weight of 240.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea is sourced from PubChem (CID 116508698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).