1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea

C20H31N3OS — CID 8683516

IUPAC1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
SMILESCc1cccc(NC(=S)NCC2(N3CCOCC3)CCCCC2)c1C
InChIInChI=1S/C20H31N3OS/c1-16-7-6-8-18(17(16)2)22-19(25)21-15-20(9-4-3-5-10-20)23-11-13-24-14-12-23/h6-8H,3-5,9-15H2,1-2H3,(H2,21,22,25)
InChIKeyHEHPJIUHRHZWHD-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.62
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea

1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea (PubChem CID 8683516) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
PubChem CID8683516
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
SMILESCc1cccc(NC(=S)NCC2(N3CCOCC3)CCCCC2)c1C
InChIInChI=1S/C20H31N3OS/c1-16-7-6-8-18(17(16)2)22-19(25)21-15-20(9-4-3-5-10-20)23-11-13-24-14-12-23/h6-8H,3-5,9-15H2,1-2H3,(H2,21,22,25)
InChIKeyHEHPJIUHRHZWHD-UHFFFAOYSA-N
XLogP3.62
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]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-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8683530
1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8788201
1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea
CID 2917531
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 43005191
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
1-(2,3-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564078
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111787793

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea (CID 8683516) is 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea is Cc1cccc(NC(=S)NCC2(N3CCOCC3)CCCCC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The InChIKey is HEHPJIUHRHZWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-16-7-6-8-18(17(16)2)22-19(25)21-15-20(9-4-3-5-10-20)23-11-13-24-14-12-23/h6-8H,3-5,9-15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea has a molecular weight of 361.56 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea is sourced from PubChem (CID 8683516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).