1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea

C10H20N2OS — CID 103734950

IUPAC1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea
SMILESCOCCNC(=S)NCC1(C)CCC1
InChIInChI=1S/C10H20N2OS/c1-10(4-3-5-10)8-12-9(14)11-6-7-13-2/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeySFTODJSAIJRUSX-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.29
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea

1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea (PubChem CID 103734950) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea
PubChem CID103734950
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea
SMILESCOCCNC(=S)NCC1(C)CCC1
InChIInChI=1S/C10H20N2OS/c1-10(4-3-5-10)8-12-9(14)11-6-7-13-2/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeySFTODJSAIJRUSX-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea (CID 103734950) is 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea is COCCNC(=S)NCC1(C)CCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea?
The InChIKey is SFTODJSAIJRUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(4-3-5-10)8-12-9(14)11-6-7-13-2/h3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea?
1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea has a molecular weight of 216.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(1-methylcyclobutyl)methyl]thiourea is sourced from PubChem (CID 103734950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).