3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C15H23ClN2OS — CID 119727864

IUPAC3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C2C3CCC(C3)C2N)s1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-2-11-5-6-12(19-11)8-17-15(18)13-9-3-4-10(7-9)14(13)16;/h5-6,9-10,13-14H,2-4,7-8,16H2,1H3,(H,17,18);1H
InChIKeyPLNXCOCFPACFNZ-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119727864) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119727864
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C2C3CCC(C3)C2N)s1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-2-11-5-6-12(19-11)8-17-15(18)13-9-3-4-10(7-9)14(13)16;/h5-6,9-10,13-14H,2-4,7-8,16H2,1H3,(H,17,18);1H
InChIKeyPLNXCOCFPACFNZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119730051
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119707047
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119755294
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-[(5-ethylthiophen-2-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106003717
3-amino-N-[(3-bromothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119759831
3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
3-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119877178
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119727864) is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCc1ccc(CNC(=O)C2C3CCC(C3)C2N)s1.Cl.
What is the InChIKey of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is PLNXCOCFPACFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-2-11-5-6-12(19-11)8-17-15(18)13-9-3-4-10(7-9)14(13)16;/h5-6,9-10,13-14H,2-4,7-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119727864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).