1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea

C10H21N3OS — CID 115590134

IUPAC1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea
SMILESCOCCNC(=S)NC1CCCN(C)C1
InChIInChI=1S/C10H21N3OS/c1-13-6-3-4-9(8-13)12-10(15)11-5-7-14-2/h9H,3-8H2,1-2H3,(H2,11,12,15)
InChIKeyHHYJMSDTXJFMDV-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.19
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea

1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea (PubChem CID 115590134) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea
PubChem CID115590134
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea
SMILESCOCCNC(=S)NC1CCCN(C)C1
InChIInChI=1S/C10H21N3OS/c1-13-6-3-4-9(8-13)12-10(15)11-5-7-14-2/h9H,3-8H2,1-2H3,(H2,11,12,15)
InChIKeyHHYJMSDTXJFMDV-UHFFFAOYSA-N
XLogP0.19
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.19
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-methyl-3-(1-methylpiperidin-3-yl)thiourea
CID 115590131
3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea
CID 116508304
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
1-(3-methoxypropyl)-3-[(1-methylpiperidin-3-yl)methyl]thiourea
CID 115618335
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-methoxyethyl)thiourea
CID 115571035
1-(3,3-dimethylcyclopentyl)-3-(2-methoxyethyl)thiourea
CID 115880253
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
1-(2-methoxyethyl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111758540
1-cyclohexyl-3-[(1,4-dimethylpiperazin-2-yl)methyl]thiourea
CID 115620804
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea (CID 115590134) is 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea is COCCNC(=S)NC1CCCN(C)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea?
The InChIKey is HHYJMSDTXJFMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-13-6-3-4-9(8-13)12-10(15)11-5-7-14-2/h9H,3-8H2,1-2H3,(H2,11,12,15).
What are the key properties of 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea?
1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea has a molecular weight of 231.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea is sourced from PubChem (CID 115590134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).