N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide

C12H17N3O3S — CID 106737535

IUPACN-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
SMILESNCC(NC(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1
InChIInChI=1S/C12H17N3O3S/c13-7-9(8-3-1-2-4-8)14-12(16)10-5-6-11(19-10)15(17)18/h5-6,8-9H,1-4,7,13H2,(H,14,16)
InChIKeyANLRLMPGBLWNTR-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.90
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide

N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide (PubChem CID 106737535) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
PubChem CID106737535
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
SMILESNCC(NC(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1
InChIInChI=1S/C12H17N3O3S/c13-7-9(8-3-1-2-4-8)14-12(16)10-5-6-11(19-10)15(17)18/h5-6,8-9H,1-4,7,13H2,(H,14,16)
InChIKeyANLRLMPGBLWNTR-UHFFFAOYSA-N
XLogP1.90
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide (CID 106737535) is N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide is NCC(NC(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is ANLRLMPGBLWNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-7-9(8-3-1-2-4-8)14-12(16)10-5-6-11(19-10)15(17)18/h5-6,8-9H,1-4,7,13H2,(H,14,16).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide?
N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 106737535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).