N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide

C15H20N2OS — CID 23308526

IUPACN-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide
SMILESC[C@@H]1[C@H]2C[C@@H](CC2=NNC(=O)c2cccs2)C1(C)C
InChIInChI=1S/C15H20N2OS/c1-9-11-7-10(15(9,2)3)8-12(11)16-17-14(18)13-5-4-6-19-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,18)/t9-,10+,11-/m1/s1
InChIKeyYRQOWXOKZAQXES-OUAUKWLOSA-N
MW276.40 g/mol
LogP3.54
Rot. Bonds2

About N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide

N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide (PubChem CID 23308526) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide
PubChem CID23308526
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide
SMILESC[C@@H]1[C@H]2C[C@@H](CC2=NNC(=O)c2cccs2)C1(C)C
InChIInChI=1S/C15H20N2OS/c1-9-11-7-10(15(9,2)3)8-12(11)16-17-14(18)13-5-4-6-19-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,18)/t9-,10+,11-/m1/s1
InChIKeyYRQOWXOKZAQXES-OUAUKWLOSA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.54
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-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide (CID 23308526) is N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide is C[C@@H]1[C@H]2C[C@@H](CC2=NNC(=O)c2cccs2)C1(C)C.
What is the InChIKey of N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide?
The InChIKey is YRQOWXOKZAQXES-OUAUKWLOSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-11-7-10(15(9,2)3)8-12(11)16-17-14(18)13-5-4-6-19-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,18)/t9-,10+,11-/m1/s1.
What are the key properties of N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide?
N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 23308526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).