1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea

C12H22N2OS — CID 116508228

IUPAC1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea
SMILESCOC1CCCC1NC(=S)NC1CCCC1
InChIInChI=1S/C12H22N2OS/c1-15-11-8-4-7-10(11)14-12(16)13-9-5-2-3-6-9/h9-11H,2-8H2,1H3,(H2,13,14,16)
InChIKeyGMBIBSWWEVGTDM-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.96
Rot. Bonds3

About 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea

1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea (PubChem CID 116508228) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea
PubChem CID116508228
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea
SMILESCOC1CCCC1NC(=S)NC1CCCC1
InChIInChI=1S/C12H22N2OS/c1-15-11-8-4-7-10(11)14-12(16)13-9-5-2-3-6-9/h9-11H,2-8H2,1H3,(H2,13,14,16)
InChIKeyGMBIBSWWEVGTDM-UHFFFAOYSA-N
XLogP1.96
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea (CID 116508228) is 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea is COC1CCCC1NC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea?
The InChIKey is GMBIBSWWEVGTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-15-11-8-4-7-10(11)14-12(16)13-9-5-2-3-6-9/h9-11H,2-8H2,1H3,(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea?
1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea has a molecular weight of 242.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea is sourced from PubChem (CID 116508228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).