2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide

C15H23IN4OS — CID 111093912

IUPAC2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
SMILESCCc1cccc(NC(=O)C/N=C(\N)N2CCSCC2)c1.I
InChIInChI=1S/C15H22N4OS.HI/c1-2-12-4-3-5-13(10-12)18-14(20)11-17-15(16)19-6-8-21-9-7-19;/h3-5,10H,2,6-9,11H2,1H3,(H2,16,17)(H,18,20);1H
InChIKeyPVQHYXSNIXXKGK-UHFFFAOYSA-N
MW434.35 g/mol
LogP2.17
Rot. Bonds4

About 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide

2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide (PubChem CID 111093912) has the molecular formula C15H23IN4OS and a molecular weight of 434.35 g/mol. Its IUPAC name is 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
PubChem CID111093912
Molecular FormulaC15H23IN4OS
Molecular Weight434.35 g/mol
Exact Mass434.06
IUPAC Name2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
SMILESCCc1cccc(NC(=O)C/N=C(\N)N2CCSCC2)c1.I
InChIInChI=1S/C15H22N4OS.HI/c1-2-12-4-3-5-13(10-12)18-14(20)11-17-15(16)19-6-8-21-9-7-19;/h3-5,10H,2,6-9,11H2,1H3,(H2,16,17)(H,18,20);1H
InChIKeyPVQHYXSNIXXKGK-UHFFFAOYSA-N
XLogP2.17
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930365
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089441
2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093926
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093005
1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea
CID 75533054
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
1-(3-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058321
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide (CID 111093912) is 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide is CCc1cccc(NC(=O)C/N=C(\N)N2CCSCC2)c1.I.
What is the InChIKey of 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide?
The InChIKey is PVQHYXSNIXXKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS.HI/c1-2-12-4-3-5-13(10-12)18-14(20)11-17-15(16)19-6-8-21-9-7-19;/h3-5,10H,2,6-9,11H2,1H3,(H2,16,17)(H,18,20);1H.
What are the key properties of 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide?
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide has a molecular weight of 434.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide is sourced from PubChem (CID 111093912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).