(1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine

C14H14N2O2S — CID 55184275

IUPAC(1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine
SMILESC[C@H](N)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O2S/c1-10(15)13-4-2-3-5-14(13)19-12-8-6-11(7-9-12)16(17)18/h2-10H,15H2,1H3/t10-/m0/s1
InChIKeyLWRJZBFAFDVZMZ-JTQLQIEISA-N
MW274.35 g/mol
LogP3.77
Rot. Bonds4

About (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine

(1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine (PubChem CID 55184275) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine
PubChem CID55184275
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name(1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine
SMILESC[C@H](N)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O2S/c1-10(15)13-4-2-3-5-14(13)19-12-8-6-11(7-9-12)16(17)18/h2-10H,15H2,1H3/t10-/m0/s1
InChIKeyLWRJZBFAFDVZMZ-JTQLQIEISA-N
XLogP3.77
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.77
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'}

Analyze (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2-(4-nitrophenyl)sulfanylbenzene
CID 125465489
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
1-nitro-2-(4-propan-2-ylphenyl)sulfanylbenzene
CID 59410267
N-[[2-(4-nitrophenyl)sulfanylphenyl]methyl]ethanamine
CID 63808522
(1S)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 29040516
[2-(4-nitrophenyl)sulfanylphenyl]-piperidin-1-ylmethanone
CID 806492
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370307
1-nitro-4-(propan-2-yldisulfanyl)benzene
CID 25001881
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
4-nitro-2-phenylsulfanylbenzonitrile
CID 10332630

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine (CID 55184275) is (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine is C[C@H](N)c1ccccc1Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine?
The InChIKey is LWRJZBFAFDVZMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10(15)13-4-2-3-5-14(13)19-12-8-6-11(7-9-12)16(17)18/h2-10H,15H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine?
(1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine has a molecular weight of 274.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-nitrophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 55184275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).