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

C11H21N3O2S — CID 17373263

IUPAC1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNC(=O)C1CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-16-8-7-12-11(17)14-13-10(15)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,13,15)(H2,12,14,17)
InChIKeyNUKDTFLZXNMCCA-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.71
Rot. Bonds4

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

1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea (PubChem CID 17373263) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
PubChem CID17373263
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNC(=O)C1CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-16-8-7-12-11(17)14-13-10(15)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,13,15)(H2,12,14,17)
InChIKeyNUKDTFLZXNMCCA-UHFFFAOYSA-N
XLogP0.71
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohexanecarbonylamino)-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

N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
CID 115588050
N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 4191585
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea
CID 113224018
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea
CID 2205112
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
N-(2-methoxyethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5058959
1-cyclohexyl-3-(cyclopropanecarbonylamino)thiourea
CID 24644179

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea (CID 17373263) is 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea is COCCNC(=S)NNC(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea?
The InChIKey is NUKDTFLZXNMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-16-8-7-12-11(17)14-13-10(15)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,13,15)(H2,12,14,17).
What are the key properties of 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea?
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea has a molecular weight of 259.37 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 17373263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).