1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea

C7H14N2OS — CID 131151711

IUPAC1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea
SMILESCON(C)C(=S)NC1(C)CC1
InChIInChI=1S/C7H14N2OS/c1-7(4-5-7)8-6(11)9(2)10-3/h4-5H2,1-3H3,(H,8,11)
InChIKeyRPTOLYWBJLUMAV-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.91
Rot. Bonds2

About 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea

1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea (PubChem CID 131151711) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea
PubChem CID131151711
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea
SMILESCON(C)C(=S)NC1(C)CC1
InChIInChI=1S/C7H14N2OS/c1-7(4-5-7)8-6(11)9(2)10-3/h4-5H2,1-3H3,(H,8,11)
InChIKeyRPTOLYWBJLUMAV-UHFFFAOYSA-N
XLogP0.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-1-methyl-3-(1-methylcyclopropyl)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-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea?
The IUPAC name of 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea (CID 131151711) is 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea.
What is the SMILES notation for 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea?
The canonical SMILES for 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea is CON(C)C(=S)NC1(C)CC1.
What is the InChIKey of 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea?
The InChIKey is RPTOLYWBJLUMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-7(4-5-7)8-6(11)9(2)10-3/h4-5H2,1-3H3,(H,8,11).
What are the key properties of 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea?
1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea has a molecular weight of 174.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-(1-methylcyclopropyl)thiourea is sourced from PubChem (CID 131151711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).