N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide

C15H20N2OS — CID 17310858

IUPACN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N/N=C2\CC3CCC2C3)cs1
InChIInChI=1S/C15H20N2OS/c1-2-3-13-8-12(9-19-13)15(18)17-16-14-7-10-4-5-11(14)6-10/h8-11H,2-7H2,1H3,(H,17,18)/b16-14+
InChIKeyXTNHGUXNSDTVNM-JQIJEIRASA-N
MW276.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide

N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide (PubChem CID 17310858) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide
PubChem CID17310858
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N/N=C2\CC3CCC2C3)cs1
InChIInChI=1S/C15H20N2OS/c1-2-3-13-8-12(9-19-13)15(18)17-16-14-7-10-4-5-11(14)6-10/h8-11H,2-7H2,1H3,(H,17,18)/b16-14+
InChIKeyXTNHGUXNSDTVNM-JQIJEIRASA-N
XLogP3.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide?
The IUPAC name of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide (CID 17310858) is N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)N/N=C2\CC3CCC2C3)cs1.
What is the InChIKey of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide?
The InChIKey is XTNHGUXNSDTVNM-JQIJEIRASA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-3-13-8-12(9-19-13)15(18)17-16-14-7-10-4-5-11(14)6-10/h8-11H,2-7H2,1H3,(H,17,18)/b16-14+.
What are the key properties of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide?
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 17310858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).