1-cyclopentyl-3-cyclopropyl-1-ethylthiourea

C11H20N2S — CID 71893777

IUPAC1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
SMILESCCN(C(=S)NC1CC1)C1CCCC1
InChIInChI=1S/C11H20N2S/c1-2-13(10-5-3-4-6-10)11(14)12-9-7-8-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyPYOLYPQYHRLGGT-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.29
Rot. Bonds3

About 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea

1-cyclopentyl-3-cyclopropyl-1-ethylthiourea (PubChem CID 71893777) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
PubChem CID71893777
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-cyclopentyl-3-cyclopropyl-1-ethylthiourea
SMILESCCN(C(=S)NC1CC1)C1CCCC1
InChIInChI=1S/C11H20N2S/c1-2-13(10-5-3-4-6-10)11(14)12-9-7-8-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyPYOLYPQYHRLGGT-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-1-cyclopropyl-1-propylthiourea
CID 115611465
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
1-butyl-1,3-dicyclopropylthiourea
CID 115579485
1-cyclopentyl-1-ethylthiourea
CID 43541105
3-cyclopropyl-1,1-dipropylthiourea
CID 19653025
3-cyclopropyl-1-ethyl-1-propan-2-ylthiourea
CID 116507332
1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
CID 115583562
3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
CID 116508733
3-cyclopentyl-1-ethyl-1-(2-methylpropyl)thiourea
CID 116507355
3-cyclohexyl-1-ethyl-1-(2-methylpropyl)thiourea
CID 91154190
1-butyl-3-cyclopropyl-1-ethylthiourea
CID 115570266
1-butyl-3-cyclopentyl-1-methylthiourea
CID 116507159

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea?
The IUPAC name of 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea (CID 71893777) is 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea.
What is the SMILES notation for 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea?
The canonical SMILES for 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea is CCN(C(=S)NC1CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea?
The InChIKey is PYOLYPQYHRLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-13(10-5-3-4-6-10)11(14)12-9-7-8-9/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea?
1-cyclopentyl-3-cyclopropyl-1-ethylthiourea has a molecular weight of 212.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-cyclopropyl-1-ethylthiourea is sourced from PubChem (CID 71893777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).