N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide

C16H27IN4S — CID 111029283

IUPACN'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCN(C)C(C/N=C(\N)N1CCSCC1)Cc1ccccc1.I
InChIInChI=1S/C16H26N4S.HI/c1-19(2)15(12-14-6-4-3-5-7-14)13-18-16(17)20-8-10-21-11-9-20;/h3-7,15H,8-13H2,1-2H3,(H2,17,18);1H
InChIKeyIQUMQOPGYLRQAS-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.14
Rot. Bonds5

About N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111029283) has the molecular formula C16H27IN4S and a molecular weight of 434.39 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111029283
Molecular FormulaC16H27IN4S
Molecular Weight434.39 g/mol
Exact Mass434.10
IUPAC NameN'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCN(C)C(C/N=C(\N)N1CCSCC1)Cc1ccccc1.I
InChIInChI=1S/C16H26N4S.HI/c1-19(2)15(12-14-6-4-3-5-7-14)13-18-16(17)20-8-10-21-11-9-20;/h3-7,15H,8-13H2,1-2H3,(H2,17,18);1H
InChIKeyIQUMQOPGYLRQAS-UHFFFAOYSA-N
XLogP2.14
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
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

N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
N'-(2,2-dimethyl-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 111815528
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111027333
N'-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111047572
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111801083
N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide
CID 111042922
N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111058255
N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111800155
N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047747
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082051
2-[2-(dimethylamino)-3-phenylpropyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111029235

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111029283) is N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide is CN(C)C(C/N=C(\N)N1CCSCC1)Cc1ccccc1.I.
What is the InChIKey of N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is IQUMQOPGYLRQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S.HI/c1-19(2)15(12-14-6-4-3-5-7-14)13-18-16(17)20-8-10-21-11-9-20;/h3-7,15H,8-13H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 434.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111029283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).