N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide

C15H23ClIN3S — CID 111100273

IUPACN'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC(C)(C/N=C(\N)N1CCSCC1)c1ccccc1Cl.I
InChIInChI=1S/C15H22ClN3S.HI/c1-15(2,12-5-3-4-6-13(12)16)11-18-14(17)19-7-9-20-10-8-19;/h3-6H,7-11H2,1-2H3,(H2,17,18);1H
InChIKeyOWLIDQSAOYHGLR-UHFFFAOYSA-N
MW439.79 g/mol
LogP3.60
Rot. Bonds3

About N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111100273) has the molecular formula C15H23ClIN3S and a molecular weight of 439.79 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111100273
Molecular FormulaC15H23ClIN3S
Molecular Weight439.79 g/mol
Exact Mass439.03
IUPAC NameN'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC(C)(C/N=C(\N)N1CCSCC1)c1ccccc1Cl.I
InChIInChI=1S/C15H22ClN3S.HI/c1-15(2,12-5-3-4-6-13(12)16)11-18-14(17)19-7-9-20-10-8-19;/h3-6H,7-11H2,1-2H3,(H2,17,18);1H
InChIKeyOWLIDQSAOYHGLR-UHFFFAOYSA-N
XLogP3.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-bromophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111070123
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111801083
N'-(2,2-dimethyl-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 111815528
1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111100253
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091110
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
2-[2-(2-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111100275
N'-[(2-ethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111817688
N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119119247
N'-[(4-benzylthiomorpholin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120513742
N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111029283
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111100273) is N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide is CC(C)(C/N=C(\N)N1CCSCC1)c1ccccc1Cl.I.
What is the InChIKey of N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OWLIDQSAOYHGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3S.HI/c1-15(2,12-5-3-4-6-13(12)16)11-18-14(17)19-7-9-20-10-8-19;/h3-6H,7-11H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 439.79 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111100273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).