1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine

C10H10N2O3S — CID 61078828

IUPAC1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine
SMILESNC(Cc1ccsc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H10N2O3S/c11-8(5-7-3-4-16-6-7)9-1-2-10(15-9)12(13)14/h1-4,6,8H,5,11H2
InChIKeyLQPYDQSNBAAGIO-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.49
Rot. Bonds4

About 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine

1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine (PubChem CID 61078828) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine
PubChem CID61078828
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine
SMILESNC(Cc1ccsc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H10N2O3S/c11-8(5-7-3-4-16-6-7)9-1-2-10(15-9)12(13)14/h1-4,6,8H,5,11H2
InChIKeyLQPYDQSNBAAGIO-UHFFFAOYSA-N
XLogP2.49
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
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)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171198348
(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171313434
2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran
CID 63017624
(5-nitrofuran-2-yl)-phenylmethanamine
CID 43463910
1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 106692043
1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
CID 106854638
2-[chloro-(4-ethylphenyl)methyl]-5-nitrofuran
CID 61086008
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
2-amino-3-hydroxy-3-(5-nitrofuran-2-yl)propanoic acid
CID 66206757
(2R)-N-[(5-nitrothiophen-3-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 94202076
N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine
CID 61066223
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine (CID 61078828) is 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine is NC(Cc1ccsc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine?
The InChIKey is LQPYDQSNBAAGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c11-8(5-7-3-4-16-6-7)9-1-2-10(15-9)12(13)14/h1-4,6,8H,5,11H2.
What are the key properties of 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine?
1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine has a molecular weight of 238.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61078828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).