(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride

C6H9ClN2O3S — CID 171216766

IUPAC(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C6H8N2O3S.ClH/c7-4(3-9)5-1-2-6(12-5)8(10)11;/h1-2,4,9H,3,7H2;1H/t4-;/m1./s1
InChIKeyHHWCRPIHFYQUHP-PGMHMLKASA-N
MW224.67 g/mol
LogP1.07
Rot. Bonds3

About (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride

(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride (PubChem CID 171216766) has the molecular formula C6H9ClN2O3S and a molecular weight of 224.67 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride
PubChem CID171216766
Molecular FormulaC6H9ClN2O3S
Molecular Weight224.67 g/mol
Exact Mass224.00
IUPAC Name(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C6H8N2O3S.ClH/c7-4(3-9)5-1-2-6(12-5)8(10)11;/h1-2,4,9H,3,7H2;1H/t4-;/m1./s1
InChIKeyHHWCRPIHFYQUHP-PGMHMLKASA-N
XLogP1.07
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-methyl-1-(5-nitrothiophen-2-yl)butan-1-amine
CID 171216739
(1S)-3,3,3-trifluoro-1-(5-nitrothiophen-2-yl)propan-1-amine
CID 171236380
(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride
CID 171251968
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
CID 171236387
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
CID 130673381
2-(1-chloroethyl)-5-nitrothiophene
CID 12583139
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine
CID 131624660
5-nitrothiophen-2-amine;hydrochloride
CID 115008612
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
CID 130852480
1-[(1S)-2-fluoro-1-(5-nitrothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171284440

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride (CID 171216766) is (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride is Cl.N[C@H](CO)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride?
The InChIKey is HHWCRPIHFYQUHP-PGMHMLKASA-N. The full InChI is InChI=1S/C6H8N2O3S.ClH/c7-4(3-9)5-1-2-6(12-5)8(10)11;/h1-2,4,9H,3,7H2;1H/t4-;/m1./s1.
What are the key properties of (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride?
(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride has a molecular weight of 224.67 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride is sourced from PubChem (CID 171216766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).