N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine

C11H12N2O3S — CID 61066223

IUPACN-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H12N2O3S/c1-12-9(7-8-3-2-6-17-8)10-4-5-11(16-10)13(14)15/h2-6,9,12H,7H2,1H3
InChIKeyHOEBKJFKFPQQHE-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.75
Rot. Bonds5

About N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine

N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 61066223) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine
PubChem CID61066223
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H12N2O3S/c1-12-9(7-8-3-2-6-17-8)10-4-5-11(16-10)13(14)15/h2-6,9,12H,7H2,1H3
InChIKeyHOEBKJFKFPQQHE-UHFFFAOYSA-N
XLogP2.75
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.75
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

2-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran
CID 63017624
N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432789
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 55012940
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114728325
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
thiophen-2-ylmethyl 5-nitrofuran-2-carboxylate
CID 2375133
N-methyl-1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 63555608
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
CID 115374448
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81472047

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine (CID 61066223) is N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is HOEBKJFKFPQQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-12-9(7-8-3-2-6-17-8)10-4-5-11(16-10)13(14)15/h2-6,9,12H,7H2,1H3.
What are the key properties of N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine?
N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 252.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-nitrofuran-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 61066223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).