3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate

C16H24ClN3OS — CID 72546520

IUPAC3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate
SMILESN/C(=N/CCc1ccc(Cl)cc1)SCCCN1CCOCC1
InChIInChI=1S/C16H24ClN3OS/c17-15-4-2-14(3-5-15)6-7-19-16(18)22-13-1-8-20-9-11-21-12-10-20/h2-5H,1,6-13H2,(H2,18,19)
InChIKeyFHOWTDFHIQPPRF-UHFFFAOYSA-N
MW341.91 g/mol
LogP2.65
Rot. Bonds7

About 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate

3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate (PubChem CID 72546520) has the molecular formula C16H24ClN3OS and a molecular weight of 341.91 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate
PubChem CID72546520
Molecular FormulaC16H24ClN3OS
Molecular Weight341.91 g/mol
Exact Mass341.13
IUPAC Name3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate
SMILESN/C(=N/CCc1ccc(Cl)cc1)SCCCN1CCOCC1
InChIInChI=1S/C16H24ClN3OS/c17-15-4-2-14(3-5-15)6-7-19-16(18)22-13-1-8-20-9-11-21-12-10-20/h2-5H,1,6-13H2,(H2,18,19)
InChIKeyFHOWTDFHIQPPRF-UHFFFAOYSA-N
XLogP2.65
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate 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

3-piperidin-1-ylpropyl N'-[4-(4-chlorophenyl)butyl]carbamimidothioate;hydrochloride
CID 73351150
3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate;hydrochloride
CID 73346570
3-pyrrolidin-1-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate;hydrochloride
CID 73354130
3-piperidin-1-ylpropyl N'-[3-(4-chlorophenyl)propyl]carbamimidothioate;hydrochloride
CID 73354131
3-piperidin-1-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride
CID 73355647
3-piperidin-1-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate;hydrochloride
CID 73357180
3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride
CID 73348062
4-[(4-chlorophenyl)methyl]-5-methyl-2-(2-morpholinoethylsulfanyl)-1H-pyrimidin-6-one
CID 136354328
3-piperidin-1-ylpropyl N'-[4-(4-chlorophenyl)butyl]carbamimidothioate
CID 72546759
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
3-piperidin-1-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate
CID 10314270
3-pyrrolidin-1-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate
CID 72546519

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate?
The IUPAC name of 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate (CID 72546520) is 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate.
What is the SMILES notation for 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate?
The canonical SMILES for 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate is N/C(=N/CCc1ccc(Cl)cc1)SCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate?
The InChIKey is FHOWTDFHIQPPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3OS/c17-15-4-2-14(3-5-15)6-7-19-16(18)22-13-1-8-20-9-11-21-12-10-20/h2-5H,1,6-13H2,(H2,18,19).
What are the key properties of 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate?
3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate has a molecular weight of 341.91 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate is sourced from PubChem (CID 72546520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).