N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide

C15H18N2OS — CID 27473621

IUPACN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cs1
InChIInChI=1S/C15H18N2OS/c1-9(2)14-7-11(8-19-14)15(18)17-16-13-6-10-4-3-5-12(10)13/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,18)/b16-13-/t10-,12-/m1/s1
InChIKeyFSRQMSHCEYVDGL-KTIPYJLNSA-N
MW274.39 g/mol
LogP3.55
Rot. Bonds3

About N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide

N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 27473621) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID27473621
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cs1
InChIInChI=1S/C15H18N2OS/c1-9(2)14-7-11(8-19-14)15(18)17-16-13-6-10-4-3-5-12(10)13/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,18)/b16-13-/t10-,12-/m1/s1
InChIKeyFSRQMSHCEYVDGL-KTIPYJLNSA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide (CID 27473621) is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cs1.
What is the InChIKey of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is FSRQMSHCEYVDGL-KTIPYJLNSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9(2)14-7-11(8-19-14)15(18)17-16-13-6-10-4-3-5-12(10)13/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,18)/b16-13-/t10-,12-/m1/s1.
What are the key properties of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide?
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 27473621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).