1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide

C18H29IN4OS — CID 111067593

IUPAC1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CC1(N2CCSCC2)CCCC1.I
InChIInChI=1S/C18H28N4OS.HI/c1-23-16-7-3-2-6-15(16)21-17(19)20-14-18(8-4-5-9-18)22-10-12-24-13-11-22;/h2-3,6-7H,4-5,8-14H2,1H3,(H3,19,20,21);1H
InChIKeyGWLSZCWOOPMWIO-UHFFFAOYSA-N
MW476.43 g/mol
LogP3.40
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide

1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide (PubChem CID 111067593) has the molecular formula C18H29IN4OS and a molecular weight of 476.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
PubChem CID111067593
Molecular FormulaC18H29IN4OS
Molecular Weight476.43 g/mol
Exact Mass476.11
IUPAC Name1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/CC1(N2CCSCC2)CCCC1.I
InChIInChI=1S/C18H28N4OS.HI/c1-23-16-7-3-2-6-15(16)21-17(19)20-14-18(8-4-5-9-18)22-10-12-24-13-11-22;/h2-3,6-7H,4-5,8-14H2,1H3,(H3,19,20,21);1H
InChIKeyGWLSZCWOOPMWIO-UHFFFAOYSA-N
XLogP3.40
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(3,4-dimethylphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111067617
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 119147612
1-(2-methoxyphenyl)-2-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111068454
2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111067632
1-(2,5-dimethoxyphenyl)-2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111821109
2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119147176
1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811626
1-(2-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054622
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111087104
1-(2,5-dimethoxyphenyl)-2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]guanidine;hydroiodide
CID 111078988
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide (CID 111067593) is 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide is COc1ccccc1N/C(N)=N/CC1(N2CCSCC2)CCCC1.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide?
The InChIKey is GWLSZCWOOPMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS.HI/c1-23-16-7-3-2-6-15(16)21-17(19)20-14-18(8-4-5-9-18)22-10-12-24-13-11-22;/h2-3,6-7H,4-5,8-14H2,1H3,(H3,19,20,21);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide?
1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide has a molecular weight of 476.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111067593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).