5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C10H12N2O4S — CID 3564247

IUPAC5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H12N2O4S/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h3-4,7H,1-2,5-6H2,(H,11,13)
InChIKeyNYPNLZQKDXZPCN-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.57
Rot. Bonds4

About 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 3564247) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID3564247
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H12N2O4S/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h3-4,7H,1-2,5-6H2,(H,11,13)
InChIKeyNYPNLZQKDXZPCN-UHFFFAOYSA-N
XLogP1.57
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 3564247) is 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CCCO1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is NYPNLZQKDXZPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h3-4,7H,1-2,5-6H2,(H,11,13).
What are the key properties of 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 256.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3564247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).