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

C11H23N3OS — CID 116508304

IUPAC3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea
SMILESCOCCNC(=S)N(C)C1CCCN(C)C1
InChIInChI=1S/C11H23N3OS/c1-13-7-4-5-10(9-13)14(2)11(16)12-6-8-15-3/h10H,4-9H2,1-3H3,(H,12,16)
InChIKeyQIAQERBPKBVJOE-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.53
Rot. Bonds4

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

3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea (PubChem CID 116508304) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea
PubChem CID116508304
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea
SMILESCOCCNC(=S)N(C)C1CCCN(C)C1
InChIInChI=1S/C11H23N3OS/c1-13-7-4-5-10(9-13)14(2)11(16)12-6-8-15-3/h10H,4-9H2,1-3H3,(H,12,16)
InChIKeyQIAQERBPKBVJOE-UHFFFAOYSA-N
XLogP0.53
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
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-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)thiourea
CID 115590134
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
5-methoxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 81086075
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
4-[(dimethylamino)methyl]-N-(2-methoxyethyl)piperidine-1-carbothioamide
CID 113224046
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-methoxyethyl)-1-methylthiourea
CID 115687552
1-methoxy-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-2-ol
CID 63930037
2-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 64610616
1-(2-methoxyethyl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111758540
1-(3-methoxypropyl)-3-[(1-methylpiperidin-3-yl)methyl]thiourea
CID 115618335
1-(1,1-dioxothiolan-3-yl)-3-(3-methoxypropyl)-1-methylthiourea
CID 113218995
methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate
CID 115174806

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea?
The IUPAC name of 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea (CID 116508304) is 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea.
What is the SMILES notation for 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea?
The canonical SMILES for 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea is COCCNC(=S)N(C)C1CCCN(C)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea?
The InChIKey is QIAQERBPKBVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-13-7-4-5-10(9-13)14(2)11(16)12-6-8-15-3/h10H,4-9H2,1-3H3,(H,12,16).
What are the key properties of 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea?
3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea has a molecular weight of 245.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)thiourea is sourced from PubChem (CID 116508304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).