(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride

C11H11ClN2O2S — CID 171217826

IUPAC(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N2O2S.ClH/c12-11(8-5-6-16-7-8)9-3-1-2-4-10(9)13(14)15;/h1-7,11H,12H2;1H/t11-;/m0./s1
InChIKeyFEWNVGYTOVRYJV-MERQFXBCSA-N
MW270.74 g/mol
LogP3.13
Rot. Bonds3

About (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride

(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171217826) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171217826
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N2O2S.ClH/c12-11(8-5-6-16-7-8)9-3-1-2-4-10(9)13(14)15;/h1-7,11H,12H2;1H/t11-;/m0./s1
InChIKeyFEWNVGYTOVRYJV-MERQFXBCSA-N
XLogP3.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171206031
(S)-(2-nitrophenyl)-thiophen-3-ylmethanol
CID 125475406
(R)-(6-nitro-1,3-benzodioxol-5-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228084
(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171236339
(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine
CID 171198265
(R)-(4-methyl-3-nitrophenyl)-thiophen-3-ylmethanamine
CID 171226532
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
2-[(R)-amino(thiophen-3-yl)methyl]-6-methoxy-4-nitrophenol;hydrochloride
CID 171236006
(1S)-1-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171217794
3-[(R)-amino(thiophen-3-yl)methyl]benzene-1,2-diol
CID 171220543
(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride
CID 171198305
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703

Frequently Asked Questions

What is the IUPAC name of (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171217826) is (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccsc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is FEWNVGYTOVRYJV-MERQFXBCSA-N. The full InChI is InChI=1S/C11H10N2O2S.ClH/c12-11(8-5-6-16-7-8)9-3-1-2-4-10(9)13(14)15;/h1-7,11H,12H2;1H/t11-;/m0./s1.
What are the key properties of (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 270.74 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171217826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).