3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride

C15H23Cl2N3OS — CID 73348062

IUPAC3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride
SMILESCl.N/C(=N/Cc1ccc(Cl)cc1)SCCCN1CCOCC1
InChIInChI=1S/C15H22ClN3OS.ClH/c16-14-4-2-13(3-5-14)12-18-15(17)21-11-1-6-19-7-9-20-10-8-19;/h2-5H,1,6-12H2,(H2,17,18);1H
InChIKeyJPRLCBDOHSIGAL-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.03
Rot. Bonds6

About 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride

3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride (PubChem CID 73348062) has the molecular formula C15H23Cl2N3OS and a molecular weight of 364.34 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride
PubChem CID73348062
Molecular FormulaC15H23Cl2N3OS
Molecular Weight364.34 g/mol
Exact Mass363.09
IUPAC Name3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride
SMILESCl.N/C(=N/Cc1ccc(Cl)cc1)SCCCN1CCOCC1
InChIInChI=1S/C15H22ClN3OS.ClH/c16-14-4-2-13(3-5-14)12-18-15(17)21-11-1-6-19-7-9-20-10-8-19;/h2-5H,1,6-12H2,(H2,17,18);1H
InChIKeyJPRLCBDOHSIGAL-UHFFFAOYSA-N
XLogP3.03
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.03
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'}

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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-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-pyrrolidin-1-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride
CID 73357178
3-piperidin-1-ylpropyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate;hydrochloride
CID 73357180
3-(4-methylpiperazin-1-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride
CID 73349595
3-piperazin-1-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride
CID 73349596
3-piperidin-1-ylpropyl N'-[4-(4-chlorophenyl)butyl]carbamimidothioate
CID 72546759
3-piperidin-1-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate
CID 10314270
3-(4-methylpiperazin-1-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate
CID 72546517
3-piperazin-1-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate
CID 72546518

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride?
The IUPAC name of 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride (CID 73348062) is 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride.
What is the SMILES notation for 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride?
The canonical SMILES for 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride is Cl.N/C(=N/Cc1ccc(Cl)cc1)SCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride?
The InChIKey is JPRLCBDOHSIGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS.ClH/c16-14-4-2-13(3-5-14)12-18-15(17)21-11-1-6-19-7-9-20-10-8-19;/h2-5H,1,6-12H2,(H2,17,18);1H.
What are the key properties of 3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride?
3-morpholin-4-ylpropyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride has a molecular weight of 364.34 g/mol, XLogP of 3.03, 6 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'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrochloride is sourced from PubChem (CID 73348062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).