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

C11H10ClI2NOS — CID 171235519

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride
SMILESCl.N[C@@H](c1cccs1)c1cc(I)cc(I)c1O
InChIInChI=1S/C11H9I2NOS.ClH/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9;/h1-5,10,15H,14H2;1H/t10-;/m1./s1
InChIKeyURYGYHDSLQNJNV-HNCPQSOCSA-N
MW493.54 g/mol
LogP4.13
Rot. Bonds2

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

2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride (PubChem CID 171235519) has the molecular formula C11H10ClI2NOS and a molecular weight of 493.54 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride
PubChem CID171235519
Molecular FormulaC11H10ClI2NOS
Molecular Weight493.54 g/mol
Exact Mass492.83
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride
SMILESCl.N[C@@H](c1cccs1)c1cc(I)cc(I)c1O
InChIInChI=1S/C11H9I2NOS.ClH/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9;/h1-5,10,15H,14H2;1H/t10-;/m1./s1
InChIKeyURYGYHDSLQNJNV-HNCPQSOCSA-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-amino(thiophen-3-yl)methyl]-4,6-diiodophenol
CID 171215887
2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol
CID 131274072
2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253754
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257098
6-[(S)-amino(thiophen-2-yl)methyl]-4-bromo-2,3-difluorophenol
CID 171257937
2-[(R)-amino(thiophen-2-yl)methyl]-4-chloro-6-fluorophenol
CID 131418873
2-[(R)-amino(thiophen-2-yl)methyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171232515
2-[(S)-amino(thiophen-2-yl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171259372
3-[(S)-amino(thiophen-2-yl)methyl]-4-hydroxy-5-methylbenzoic acid;hydrochloride
CID 171258264
2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride
CID 171217144
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-nitrophenol;hydrochloride
CID 171258039
3-[(S)-amino(thiophen-2-yl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171257764

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride (CID 171235519) is 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride is Cl.N[C@@H](c1cccs1)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride?
The InChIKey is URYGYHDSLQNJNV-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H9I2NOS.ClH/c12-6-4-7(11(15)8(13)5-6)10(14)9-2-1-3-16-9;/h1-5,10,15H,14H2;1H/t10-;/m1./s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride?
2-[(R)-amino(thiophen-2-yl)methyl]-4,6-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 2-[(R)-amino(thiophen-2-yl)methyl]-4,6-diiodophenol;hydrochloride is sourced from PubChem (CID 171235519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).