1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea

C19H35N3OS — CID 3572429

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea
SMILESCC(C)CNC(=S)N(CCCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C19H35N3OS/c1-17(2)15-20-19(24)22(16-18-7-4-3-5-8-18)10-6-9-21-11-13-23-14-12-21/h3-4,17-18H,5-16H2,1-2H3,(H,20,24)
InChIKeyMOORZQPLDRHNSR-UHFFFAOYSA-N
MW353.58 g/mol
LogP2.90
Rot. Bonds8

About 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea

1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 3572429) has the molecular formula C19H35N3OS and a molecular weight of 353.58 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea
PubChem CID3572429
Molecular FormulaC19H35N3OS
Molecular Weight353.58 g/mol
Exact Mass353.25
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea
SMILESCC(C)CNC(=S)N(CCCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C19H35N3OS/c1-17(2)15-20-19(24)22(16-18-7-4-3-5-8-18)10-6-9-21-11-13-23-14-12-21/h3-4,17-18H,5-16H2,1-2H3,(H,20,24)
InChIKeyMOORZQPLDRHNSR-UHFFFAOYSA-N
XLogP2.90
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea (CID 3572429) is 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea is CC(C)CNC(=S)N(CCCN1CCOCC1)CC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is MOORZQPLDRHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3OS/c1-17(2)15-20-19(24)22(16-18-7-4-3-5-8-18)10-6-9-21-11-13-23-14-12-21/h3-4,17-18H,5-16H2,1-2H3,(H,20,24).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea?
1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 353.58 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 3572429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).