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

C9H19N3OS — CID 63828621

IUPAC1-amino-3-(2-cyclohexyloxyethyl)thiourea
SMILESNNC(=S)NCCOC1CCCCC1
InChIInChI=1S/C9H19N3OS/c10-12-9(14)11-6-7-13-8-4-2-1-3-5-8/h8H,1-7,10H2,(H2,11,12,14)
InChIKeyGLWVYSWBJMRGMM-UHFFFAOYSA-N
MW217.34 g/mol
LogP0.67
Rot. Bonds4

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

1-amino-3-(2-cyclohexyloxyethyl)thiourea (PubChem CID 63828621) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is 1-amino-3-(2-cyclohexyloxyethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-cyclohexyloxyethyl)thiourea
PubChem CID63828621
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name1-amino-3-(2-cyclohexyloxyethyl)thiourea
SMILESNNC(=S)NCCOC1CCCCC1
InChIInChI=1S/C9H19N3OS/c10-12-9(14)11-6-7-13-8-4-2-1-3-5-8/h8H,1-7,10H2,(H2,11,12,14)
InChIKeyGLWVYSWBJMRGMM-UHFFFAOYSA-N
XLogP0.67
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
CID 115588050
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
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1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
CID 104886332
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide
CID 55259925
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
2-(2-aminocyclohexyl)-N-(2-cyclohexyloxyethyl)acetamide
CID 63834168
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-cyclohexyloxyethyl)thiourea?
The IUPAC name of 1-amino-3-(2-cyclohexyloxyethyl)thiourea (CID 63828621) is 1-amino-3-(2-cyclohexyloxyethyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-cyclohexyloxyethyl)thiourea?
The canonical SMILES for 1-amino-3-(2-cyclohexyloxyethyl)thiourea is NNC(=S)NCCOC1CCCCC1.
What is the InChIKey of 1-amino-3-(2-cyclohexyloxyethyl)thiourea?
The InChIKey is GLWVYSWBJMRGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c10-12-9(14)11-6-7-13-8-4-2-1-3-5-8/h8H,1-7,10H2,(H2,11,12,14).
What are the key properties of 1-amino-3-(2-cyclohexyloxyethyl)thiourea?
1-amino-3-(2-cyclohexyloxyethyl)thiourea has a molecular weight of 217.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-cyclohexyloxyethyl)thiourea is sourced from PubChem (CID 63828621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).