N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide

C16H26IN3OS — CID 111818403

IUPACN'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCOc1ccc(C(C)CC/N=C(\N)N2CCSCC2)cc1.I
InChIInChI=1S/C16H25N3OS.HI/c1-13(14-3-5-15(20-2)6-4-14)7-8-18-16(17)19-9-11-21-12-10-19;/h3-6,13H,7-12H2,1-2H3,(H2,17,18);1H
InChIKeyVPIZREOOCMGUJH-UHFFFAOYSA-N
MW435.38 g/mol
LogP3.17
Rot. Bonds5

About N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111818403) has the molecular formula C16H26IN3OS and a molecular weight of 435.38 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111818403
Molecular FormulaC16H26IN3OS
Molecular Weight435.38 g/mol
Exact Mass435.08
IUPAC NameN'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCOc1ccc(C(C)CC/N=C(\N)N2CCSCC2)cc1.I
InChIInChI=1S/C16H25N3OS.HI/c1-13(14-3-5-15(20-2)6-4-14)7-8-18-16(17)19-9-11-21-12-10-19;/h3-6,13H,7-12H2,1-2H3,(H2,17,18);1H
InChIKeyVPIZREOOCMGUJH-UHFFFAOYSA-N
XLogP3.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.17
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)-2-(4-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111027333
N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide
CID 111027734
N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111044480
N'-[2-[4-(2-methylpropoxy)phenyl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806309
N'-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806545
N'-[3-(3,5-dimethoxyphenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111975623
1,1-diethyl-2-[3-(4-methoxyphenyl)butyl]guanidine
CID 111818422
N'-(3-ethoxy-4-methylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111823098
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-[2-(4-butoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111049744
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
N'-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]thiomorpholine-4-carboximidamide
CID 111036184

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111818403) is N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide is COc1ccc(C(C)CC/N=C(\N)N2CCSCC2)cc1.I.
What is the InChIKey of N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is VPIZREOOCMGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS.HI/c1-13(14-3-5-15(20-2)6-4-14)7-8-18-16(17)19-9-11-21-12-10-19;/h3-6,13H,7-12H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 435.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111818403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).