1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine

C16H25ClN4OS — CID 111033008

IUPAC1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN4OS/c17-14-2-4-15(5-3-14)23-13-7-20-16(18)19-6-1-8-21-9-11-22-12-10-21/h2-5H,1,6-13H2,(H3,18,19,20)
InChIKeySALXVJYHADADQY-UHFFFAOYSA-N
MW356.92 g/mol
LogP2.06
Rot. Bonds8

About 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111033008) has the molecular formula C16H25ClN4OS and a molecular weight of 356.92 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111033008
Molecular FormulaC16H25ClN4OS
Molecular Weight356.92 g/mol
Exact Mass356.14
IUPAC Name1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN4OS/c17-14-2-4-15(5-3-14)23-13-7-20-16(18)19-6-1-8-21-9-11-22-12-10-21/h2-5H,1,6-13H2,(H3,18,19,20)
InChIKeySALXVJYHADADQY-UHFFFAOYSA-N
XLogP2.06
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 52.06
H-Bond Donors ≤ 52
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

1-[2-(4-methylphenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033334
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972667
1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111372109
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
CID 3022021
2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111600639
1-[2-(3-chlorophenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111071441
1-[2-(2,5-difluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111600901
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111036224
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816056
2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
CID 111069794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine (CID 111033008) is 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine is N/C(=N\CCCN1CCOCC1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is SALXVJYHADADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4OS/c17-14-2-4-15(5-3-14)23-13-7-20-16(18)19-6-1-8-21-9-11-22-12-10-21/h2-5H,1,6-13H2,(H3,18,19,20).
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 356.92 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111033008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).