1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide

C15H25IN4O3S — CID 111093826

IUPAC1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCS(=O)(=O)N2CCOCC2)cc1.I
InChIInChI=1S/C15H24N4O3S.HI/c1-2-13-3-5-14(6-4-13)18-15(16)17-7-12-23(20,21)19-8-10-22-11-9-19;/h3-6H,2,7-12H2,1H3,(H3,16,17,18);1H
InChIKeyKUSKIJPCHUABNS-UHFFFAOYSA-N
MW468.36 g/mol
LogP1.26
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide

1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide (PubChem CID 111093826) has the molecular formula C15H25IN4O3S and a molecular weight of 468.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
PubChem CID111093826
Molecular FormulaC15H25IN4O3S
Molecular Weight468.36 g/mol
Exact Mass468.07
IUPAC Name1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCS(=O)(=O)N2CCOCC2)cc1.I
InChIInChI=1S/C15H24N4O3S.HI/c1-2-13-3-5-14(6-4-13)18-15(16)17-7-12-23(20,21)19-8-10-22-11-9-19;/h3-6H,2,7-12H2,1H3,(H3,16,17,18);1H
InChIKeyKUSKIJPCHUABNS-UHFFFAOYSA-N
XLogP1.26
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111819779
propan-2-yl 3-[[amino-(4-ethylanilino)methylidene]amino]propanoate
CID 111037110
2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine
CID 110925474
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111821897
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 2108270
2-hexyl-1-(2-morpholin-4-ylsulfonylethyl)guanidine
CID 111093819
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
1-(4-ethylphenyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111818498
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111091466

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide (CID 111093826) is 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide is CCc1ccc(N/C(N)=N/CCS(=O)(=O)N2CCOCC2)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
The InChIKey is KUSKIJPCHUABNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S.HI/c1-2-13-3-5-14(6-4-13)18-15(16)17-7-12-23(20,21)19-8-10-22-11-9-19;/h3-6H,2,7-12H2,1H3,(H3,16,17,18);1H.
What are the key properties of 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide?
1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide has a molecular weight of 468.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111093826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).