9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C17H27ClN2OS — CID 120986047

IUPAC9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)s1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-2-14-6-7-15(21-14)10-19-17(20)13-8-11-4-3-5-12(9-13)16(11)18;/h6-7,11-13,16H,2-5,8-10,18H2,1H3,(H,19,20);1H
InChIKeyHIIWVSURPGQCIZ-UHFFFAOYSA-N
MW342.94 g/mol
LogP3.50
Rot. Bonds4

About 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120986047) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120986047
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC Name9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)s1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-2-14-6-7-15(21-14)10-19-17(20)13-8-11-4-3-5-12(9-13)16(11)18;/h6-7,11-13,16H,2-5,8-10,18H2,1H3,(H,19,20);1H
InChIKeyHIIWVSURPGQCIZ-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727864
9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984442
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718
9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992210
9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994031
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 120994216
9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992577
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120986047) is 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)s1.Cl.
What is the InChIKey of 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is HIIWVSURPGQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-2-14-6-7-15(21-14)10-19-17(20)13-8-11-4-3-5-12(9-13)16(11)18;/h6-7,11-13,16H,2-5,8-10,18H2,1H3,(H,19,20);1H.
What are the key properties of 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120986047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).