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

C14H27N3OS — CID 8788201

IUPAC1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
SMILESCCNC(=S)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C14H27N3OS/c1-2-15-13(19)16-12-14(6-4-3-5-7-14)17-8-10-18-11-9-17/h2-12H2,1H3,(H2,15,16,19)
InChIKeyOMNRWVBHTDWGTM-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.51
Rot. Bonds4

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

1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea (PubChem CID 8788201) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
PubChem CID8788201
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
SMILESCCNC(=S)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C14H27N3OS/c1-2-15-13(19)16-12-14(6-4-3-5-7-14)17-8-10-18-11-9-17/h2-12H2,1H3,(H2,15,16,19)
InChIKeyOMNRWVBHTDWGTM-UHFFFAOYSA-N
XLogP1.51
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.51
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-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8683530
1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8683516
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111123659
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111004110
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111497225
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
CID 131939230
1-[2-(diethylamino)propyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003197

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The IUPAC name of 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea (CID 8788201) is 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The canonical SMILES for 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea is CCNC(=S)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
The InChIKey is OMNRWVBHTDWGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-2-15-13(19)16-12-14(6-4-3-5-7-14)17-8-10-18-11-9-17/h2-12H2,1H3,(H2,15,16,19).
What are the key properties of 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea?
1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea has a molecular weight of 285.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea is sourced from PubChem (CID 8788201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).