(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine

C11H10N2O2S — CID 171198265

IUPAC(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccsc1
InChIInChI=1S/C11H10N2O2S/c12-11(9-5-6-16-7-9)8-1-3-10(4-2-8)13(14)15/h1-7,11H,12H2/t11-/m0/s1
InChIKeyABPXEHWIZRIWMQ-NSHDSACASA-N
MW234.28 g/mol
LogP2.70
Rot. Bonds3

About (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine

(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine (PubChem CID 171198265) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine
PubChem CID171198265
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccsc1
InChIInChI=1S/C11H10N2O2S/c12-11(9-5-6-16-7-9)8-1-3-10(4-2-8)13(14)15/h1-7,11H,12H2/t11-/m0/s1
InChIKeyABPXEHWIZRIWMQ-NSHDSACASA-N
XLogP2.70
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.70
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

(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
CID 171225553
(4-nitrophenyl)-phenylmethanamine
CID 19975165
(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171236339
(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171217826
4-[(S)-amino(thiophen-3-yl)methyl]benzoic acid
CID 171198152
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
CID 171211233
2-[(R)-amino(thiophen-3-yl)methyl]-6-methoxy-4-nitrophenol;hydrochloride
CID 171236006
(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171206031
(1R)-1-(4-nitrophenyl)prop-2-yn-1-amine
CID 97036638
(R)-(6-nitro-1,3-benzodioxol-5-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228084
[4-[(R)-amino(thiophen-3-yl)methyl]phenyl] acetate;hydrochloride
CID 171229424
(2R)-2-amino-2-(4-nitrophenyl)acetonitrile
CID 130739623

Frequently Asked Questions

What is the IUPAC name of (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine (CID 171198265) is (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine is N[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccsc1.
What is the InChIKey of (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine?
The InChIKey is ABPXEHWIZRIWMQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H10N2O2S/c12-11(9-5-6-16-7-9)8-1-3-10(4-2-8)13(14)15/h1-7,11H,12H2/t11-/m0/s1.
What are the key properties of (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine?
(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine has a molecular weight of 234.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-nitrophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171198265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).