1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea

C12H24N2O2S — CID 115588050

IUPAC1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCCOC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-15-9-7-13-12(17)14-8-10-16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,13,14,17)
InChIKeyXKSKNOPNALISBN-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.45
Rot. Bonds7

About 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea

1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea (PubChem CID 115588050) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
PubChem CID115588050
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCCOC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-15-9-7-13-12(17)14-8-10-16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,13,14,17)
InChIKeyXKSKNOPNALISBN-UHFFFAOYSA-N
XLogP1.45
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.45
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'}

Analyze 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-amino-3-(2-cyclohexyloxyethyl)thiourea
CID 63828621
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263
2-methoxyethoxycyclohexane
CID 20550469
N-(2-cyclohexyloxyethyl)-3-methoxypropan-1-amine
CID 62567637
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
3-methoxypropoxycyclooctane
CID 68608033
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide
CID 113233400
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea (CID 115588050) is 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)NCCOC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is XKSKNOPNALISBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-15-9-7-13-12(17)14-8-10-16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,13,14,17).
What are the key properties of 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea?
1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea has a molecular weight of 260.40 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 115588050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).