1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea

C18H27N3OS — CID 8625596

IUPAC1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea
SMILESC[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27N3OS/c1-14-4-2-3-5-17(14)20-18(23)19-15-6-8-16(9-7-15)21-10-12-22-13-11-21/h6-9,14,17H,2-5,10-13H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1
InChIKeyOOJVGMWRQXMJST-PBHICJAKSA-N
MW333.50 g/mol
LogP3.39
Rot. Bonds3

About 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea

1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea (PubChem CID 8625596) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea
PubChem CID8625596
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea
SMILESC[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27N3OS/c1-14-4-2-3-5-17(14)20-18(23)19-15-6-8-16(9-7-15)21-10-12-22-13-11-21/h6-9,14,17H,2-5,10-13H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1
InChIKeyOOJVGMWRQXMJST-PBHICJAKSA-N
XLogP3.39
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)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-(2,4-dimorpholin-4-ylphenyl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8654348
1-[(1R,2S)-2-methylcyclohexyl]-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 9122070
2-[methyl-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8681927
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-methylsulfanylphenyl)thiourea
CID 8564855
1-(4-methoxyphenyl)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8616277
2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 102731235
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 8624511
1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 7941815
1-(3,4-dichlorophenyl)-3-(2-methylcyclohexyl)thiourea
CID 19652564
1-(3,4-difluorophenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8669123
1-(2-bicyclo[2.2.1]heptanyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]thiourea
CID 71901869

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea?
The IUPAC name of 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea (CID 8625596) is 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea.
What is the SMILES notation for 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea?
The canonical SMILES for 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea is C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea?
The InChIKey is OOJVGMWRQXMJST-PBHICJAKSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-14-4-2-3-5-17(14)20-18(23)19-15-6-8-16(9-7-15)21-10-12-22-13-11-21/h6-9,14,17H,2-5,10-13H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea?
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea has a molecular weight of 333.50 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea is sourced from PubChem (CID 8625596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).