N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H17NOS — CID 68595590

IUPACN-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC(NC(=O)C1CC2C=CC1C2)c1cccs1
InChIInChI=1S/C14H17NOS/c1-9(13-3-2-6-17-13)15-14(16)12-8-10-4-5-11(12)7-10/h2-6,9-12H,7-8H2,1H3,(H,15,16)
InChIKeyMHGNJLJDCLGTJJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.14
Rot. Bonds3

About N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 68595590) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID68595590
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC(NC(=O)C1CC2C=CC1C2)c1cccs1
InChIInChI=1S/C14H17NOS/c1-9(13-3-2-6-17-13)15-14(16)12-8-10-4-5-11(12)7-10/h2-6,9-12H,7-8H2,1H3,(H,15,16)
InChIKeyMHGNJLJDCLGTJJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 81392981
2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380398
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
2-amino-N-(1-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64822918
2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408900
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
N-[1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71985312
N-but-3-yn-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 114390058
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43534409

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 68595590) is N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CC(NC(=O)C1CC2C=CC1C2)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is MHGNJLJDCLGTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9(13-3-2-6-17-13)15-14(16)12-8-10-4-5-11(12)7-10/h2-6,9-12H,7-8H2,1H3,(H,15,16).
What are the key properties of N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 247.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 68595590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).