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

C10H10N2O2S2 — CID 15191002

IUPACN,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine
SMILESCN(C)c1ccc(-c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C10H10N2O2S2/c1-11(2)9-5-3-7(15-9)8-4-6-10(16-8)12(13)14/h3-6H,1-2H3
InChIKeyCXZHFWIPZBPGJP-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.45
Rot. Bonds3

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

N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine (PubChem CID 15191002) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine
PubChem CID15191002
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC NameN,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine
SMILESCN(C)c1ccc(-c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C10H10N2O2S2/c1-11(2)9-5-3-7(15-9)8-4-6-10(16-8)12(13)14/h3-6H,1-2H3
InChIKeyCXZHFWIPZBPGJP-UHFFFAOYSA-N
XLogP3.45
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
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'}

Analyze N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine?
The IUPAC name of N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine (CID 15191002) is N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine?
The canonical SMILES for N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine is CN(C)c1ccc(-c2ccc([N+](=O)[O-])s2)s1.
What is the InChIKey of N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine?
The InChIKey is CXZHFWIPZBPGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-11(2)9-5-3-7(15-9)8-4-6-10(16-8)12(13)14/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine?
N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine has a molecular weight of 254.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(5-nitrothiophen-2-yl)thiophen-2-amine is sourced from PubChem (CID 15191002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).