4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride

C11H10ClI2NOS — CID 171235478

IUPAC4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C11H9I2NOS.ClH/c12-8-3-7(4-9(13)11(8)15)10(14)6-1-2-16-5-6;/h1-5,10,15H,14H2;1H/t10-;/m0./s1
InChIKeyXSYIHPXAUVRRGG-PPHPATTJSA-N
MW493.54 g/mol
LogP4.13
Rot. Bonds2

About 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride

4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride (PubChem CID 171235478) has the molecular formula C11H10ClI2NOS and a molecular weight of 493.54 g/mol. Its IUPAC name is 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
PubChem CID171235478
Molecular FormulaC11H10ClI2NOS
Molecular Weight493.54 g/mol
Exact Mass492.83
IUPAC Name4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C11H9I2NOS.ClH/c12-8-3-7(4-9(13)11(8)15)10(14)6-1-2-16-5-6;/h1-5,10,15H,14H2;1H/t10-;/m0./s1
InChIKeyXSYIHPXAUVRRGG-PPHPATTJSA-N
XLogP4.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-amino(thiophen-3-yl)methyl]-4,6-diiodophenol
CID 171215887
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
2-[(S)-amino(thiophen-3-yl)methyl]benzene-1,3,5-triol;hydrochloride
CID 171217050
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171231254
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
2-[(S)-amino(thiophen-3-yl)methyl]-4-chloro-6-methylphenol;hydrochloride
CID 171215002
[4-[(R)-amino(thiophen-3-yl)methyl]phenyl] acetate;hydrochloride
CID 171229424
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
CID 171217231

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride (CID 171235478) is 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride is Cl.N[C@@H](c1ccsc1)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride?
The InChIKey is XSYIHPXAUVRRGG-PPHPATTJSA-N. The full InChI is InChI=1S/C11H9I2NOS.ClH/c12-8-3-7(4-9(13)11(8)15)10(14)6-1-2-16-5-6;/h1-5,10,15H,14H2;1H/t10-;/m0./s1.
What are the key properties of 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride?
4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride has a molecular weight of 493.54 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride is sourced from PubChem (CID 171235478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).