N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine

C10H10N2O2SSe — CID 101023541

IUPACN,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine
SMILESCN(C)c1ccc(-c2ccc([N+](=O)[O-])s2)[se]1
InChIInChI=1S/C10H10N2O2SSe/c1-11(2)10-6-4-8(16-10)7-3-5-9(15-7)12(13)14/h3-6H,1-2H3
InChIKeyVQCULONAXRNJSD-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.45
Rot. Bonds3

About N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine

N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine (PubChem CID 101023541) has the molecular formula C10H10N2O2SSe and a molecular weight of 301.23 g/mol. Its IUPAC name is N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine
PubChem CID101023541
Molecular FormulaC10H10N2O2SSe
Molecular Weight301.23 g/mol
Exact Mass301.96
IUPAC NameN,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine
SMILESCN(C)c1ccc(-c2ccc([N+](=O)[O-])s2)[se]1
InChIInChI=1S/C10H10N2O2SSe/c1-11(2)10-6-4-8(16-10)7-3-5-9(15-7)12(13)14/h3-6H,1-2H3
InChIKeyVQCULONAXRNJSD-UHFFFAOYSA-N
XLogP2.45
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(dimethylamino)thiophen-2-yl]methyl]-N,N-dimethylthiophen-2-amine
CID 60148937
1-[(5-Nitro-2-thienyl)methyl]pyrrolidine
CID 2845949
5-Dimethylamino-5'-nitro-2,2-bithiophene
CID 15191002
5-(Methylthio)-5'-nitro-2,2'-bithiophene
CID 10355118
5'-Nitro-5-methyl-2,2'-bithiophene
CID 12515487
1-[5-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]piperidine
CID 85975554
Bis-(5-nitro-2-thienyl)methane
CID 129809557
1-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]pyrrolidine
CID 11778429
N,N-dimethyl-5-(5-methylthiophen-2-yl)thiophen-2-amine
CID 71100168
N,N-dimethyl-2-(5-nitrothiophen-2-yl)thiophen-3-amine
CID 89762976
N,N-dimethyl-5-nitro-2-thiophen-2-ylthiophen-3-amine
CID 89762977
N-methyl-1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanamine
CID 121474321

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine?
The IUPAC name of N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine (CID 101023541) is N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine?
The canonical SMILES for N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine is CN(C)c1ccc(-c2ccc([N+](=O)[O-])s2)[se]1.
What is the InChIKey of N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine?
The InChIKey is VQCULONAXRNJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2SSe/c1-11(2)10-6-4-8(16-10)7-3-5-9(15-7)12(13)14/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine?
N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine has a molecular weight of 301.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine is sourced from PubChem (CID 101023541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).