N-ethyl-2-nitrothiophen-3-amine

C6H8N2O2S — CID 131104824

IUPACN-ethyl-2-nitrothiophen-3-amine
SMILESCCNc1ccsc1[N+](=O)[O-]
InChIInChI=1S/C6H8N2O2S/c1-2-7-5-3-4-11-6(5)8(9)10/h3-4,7H,2H2,1H3
InChIKeyUDLVGPOOTWPHRI-UHFFFAOYSA-N
MW172.21 g/mol
LogP2.09
Rot. Bonds3

About N-ethyl-2-nitrothiophen-3-amine

N-ethyl-2-nitrothiophen-3-amine (PubChem CID 131104824) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is N-ethyl-2-nitrothiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-2-nitrothiophen-3-amine
PubChem CID131104824
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC NameN-ethyl-2-nitrothiophen-3-amine
SMILESCCNc1ccsc1[N+](=O)[O-]
InChIInChI=1S/C6H8N2O2S/c1-2-7-5-3-4-11-6(5)8(9)10/h3-4,7H,2H2,1H3
InChIKeyUDLVGPOOTWPHRI-UHFFFAOYSA-N
XLogP2.09
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 52.09
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-nitrothiophen-3-amine?
The IUPAC name of N-ethyl-2-nitrothiophen-3-amine (CID 131104824) is N-ethyl-2-nitrothiophen-3-amine.
What is the SMILES notation for N-ethyl-2-nitrothiophen-3-amine?
The canonical SMILES for N-ethyl-2-nitrothiophen-3-amine is CCNc1ccsc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-nitrothiophen-3-amine?
The InChIKey is UDLVGPOOTWPHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-7-5-3-4-11-6(5)8(9)10/h3-4,7H,2H2,1H3.
What are the key properties of N-ethyl-2-nitrothiophen-3-amine?
N-ethyl-2-nitrothiophen-3-amine has a molecular weight of 172.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-nitrothiophen-3-amine is sourced from PubChem (CID 131104824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).