1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea

C20H31N3OS — CID 8683530

IUPAC1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
SMILESCCc1ccc(NC(=S)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C20H31N3OS/c1-2-17-6-8-18(9-7-17)22-19(25)21-16-20(10-4-3-5-11-20)23-12-14-24-15-13-23/h6-9H,2-5,10-16H2,1H3,(H2,21,22,25)
InChIKeyDMIFPGYFWHZVRV-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea

1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea (PubChem CID 8683530) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
PubChem CID8683530
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
SMILESCCc1ccc(NC(=S)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C20H31N3OS/c1-2-17-6-8-18(9-7-17)22-19(25)21-16-20(10-4-3-5-11-20)23-12-14-24-15-13-23/h6-9H,2-5,10-16H2,1H3,(H2,21,22,25)
InChIKeyDMIFPGYFWHZVRV-UHFFFAOYSA-N
XLogP3.57
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8788201
1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8683516
2-[(4-ethylphenyl)methyl-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18087679
2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 17014106
N-[4-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111003456
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 8785968
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
N-(4-fluorophenyl)-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003535
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
(3R)-3-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31288160
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea (CID 8683530) is 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea is CCc1ccc(NC(=S)NCC2(N3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The InChIKey is DMIFPGYFWHZVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-2-17-6-8-18(9-7-17)22-19(25)21-16-20(10-4-3-5-11-20)23-12-14-24-15-13-23/h6-9H,2-5,10-16H2,1H3,(H2,21,22,25).
What are the key properties of 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea has a molecular weight of 361.56 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea is sourced from PubChem (CID 8683530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).