N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

C18H29IN4OS — CID 111082850

IUPACN'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(Cc2cccc(C/N=C(\N)N3CCSCC3)c2)CCO1.I
InChIInChI=1S/C18H28N4OS.HI/c1-15-13-21(5-8-23-15)14-17-4-2-3-16(11-17)12-20-18(19)22-6-9-24-10-7-22;/h2-4,11,15H,5-10,12-14H2,1H3,(H2,19,20);1H
InChIKeyCOCRWOPTEPSJQK-UHFFFAOYSA-N
MW476.43 g/mol
LogP2.39
Rot. Bonds4

About N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111082850) has the molecular formula C18H29IN4OS and a molecular weight of 476.43 g/mol. Its IUPAC name is N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111082850
Molecular FormulaC18H29IN4OS
Molecular Weight476.43 g/mol
Exact Mass476.11
IUPAC NameN'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(Cc2cccc(C/N=C(\N)N3CCSCC3)c2)CCO1.I
InChIInChI=1S/C18H28N4OS.HI/c1-15-13-21(5-8-23-15)14-17-4-2-3-16(11-17)12-20-18(19)22-6-9-24-10-7-22;/h2-4,11,15H,5-10,12-14H2,1H3,(H2,19,20);1H
InChIKeyCOCRWOPTEPSJQK-UHFFFAOYSA-N
XLogP2.39
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
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'}

Analyze N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]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

1-[[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111803820
2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111082801
1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111082843
2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721450
1-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980136
N'-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047033
1-cyclohexyl-3-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110957229
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111534651
1-[[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111803832
1-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316281
1-[[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 111803789

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111082850) is N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is CC1CN(Cc2cccc(C/N=C(\N)N3CCSCC3)c2)CCO1.I.
What is the InChIKey of N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is COCRWOPTEPSJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS.HI/c1-15-13-21(5-8-23-15)14-17-4-2-3-16(11-17)12-20-18(19)22-6-9-24-10-7-22;/h2-4,11,15H,5-10,12-14H2,1H3,(H2,19,20);1H.
What are the key properties of N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 476.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111082850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).