3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea

C10H20N2OS — CID 116507622

IUPAC3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea
SMILESCOCCN(C)C(=S)NC1CCCC1
InChIInChI=1S/C10H20N2OS/c1-12(7-8-13-2)10(14)11-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,11,14)
InChIKeyGPMKNBMYPVOWHO-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.38
Rot. Bonds4

About 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea

3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea (PubChem CID 116507622) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea
PubChem CID116507622
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea
SMILESCOCCN(C)C(=S)NC1CCCC1
InChIInChI=1S/C10H20N2OS/c1-12(7-8-13-2)10(14)11-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,11,14)
InChIKeyGPMKNBMYPVOWHO-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-cyclopentyl-1-methylthiourea
CID 116507159
3-cyclohexyl-1-[2-(4-fluorophenoxy)ethyl]-1-methylthiourea
CID 9241354
1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
CID 115583562
3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
CID 113224002
3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylthiourea
CID 116510300
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 63285116
2-[acetyl(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 113159800
3-cyclohexyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]thiourea
CID 116509323
3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea
CID 47326407
N-cyclohexyl-N',N'-bis(2-methoxyethyl)oxamide
CID 108504409
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea?
The IUPAC name of 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea (CID 116507622) is 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea.
What is the SMILES notation for 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea?
The canonical SMILES for 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea is COCCN(C)C(=S)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea?
The InChIKey is GPMKNBMYPVOWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-12(7-8-13-2)10(14)11-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,11,14).
What are the key properties of 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea?
3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea has a molecular weight of 216.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea is sourced from PubChem (CID 116507622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).