1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea

C11H21N3O2S — CID 113224018

IUPAC1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea
SMILESCOCCNC(=S)NCC(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-16-8-5-12-11(17)13-9-10(15)14-6-3-2-4-7-14/h2-9H2,1H3,(H2,12,13,17)
InChIKeyCFQWXXPZUWFZRW-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.11
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea

1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea (PubChem CID 113224018) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea
PubChem CID113224018
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea
SMILESCOCCNC(=S)NCC(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-16-8-5-12-11(17)13-9-10(15)14-6-3-2-4-7-14/h2-9H2,1H3,(H2,12,13,17)
InChIKeyCFQWXXPZUWFZRW-UHFFFAOYSA-N
XLogP0.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
CID 115583639
1-(2-methylpropyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thiourea
CID 115576760
1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
CID 115583638
1-(2-methoxyethyl)-3-(2-piperidin-1-ylpropyl)thiourea
CID 113225528
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836236
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
N-(2-methoxyethyl)-3-[(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 54836035
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea (CID 113224018) is 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea is COCCNC(=S)NCC(=O)N1CCCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea?
The InChIKey is CFQWXXPZUWFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-16-8-5-12-11(17)13-9-10(15)14-6-3-2-4-7-14/h2-9H2,1H3,(H2,12,13,17).
What are the key properties of 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea?
1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea has a molecular weight of 259.37 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea is sourced from PubChem (CID 113224018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).