9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H25ClN2OS — CID 120983116

IUPAC9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccccc1-c1cccs1)C2
InChIInChI=1S/C20H24N2OS.ClH/c21-19-13-5-3-6-14(19)12-15(11-13)20(23)22-17-8-2-1-7-16(17)18-9-4-10-24-18;/h1-2,4,7-10,13-15,19H,3,5-6,11-12,21H2,(H,22,23);1H
InChIKeyFCIRSJRHHGHRGM-UHFFFAOYSA-N
MW376.95 g/mol
LogP4.93
Rot. Bonds3

About 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983116) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983116
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccccc1-c1cccs1)C2
InChIInChI=1S/C20H24N2OS.ClH/c21-19-13-5-3-6-14(19)12-15(11-13)20(23)22-17-8-2-1-7-16(17)18-9-4-10-24-18;/h1-2,4,7-10,13-15,19H,3,5-6,11-12,21H2,(H,22,23);1H
InChIKeyFCIRSJRHHGHRGM-UHFFFAOYSA-N
XLogP4.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 43709708
9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989687
N-[3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120984691
9-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986921
(3R)-1-(2,2-dimethylpropanoyl)-N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 52514306
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
9-amino-N-[3-(butanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987456
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993419
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983874
1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea
CID 110891079
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983116) is 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)Nc1ccccc1-c1cccs1)C2.
What is the InChIKey of 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is FCIRSJRHHGHRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS.ClH/c21-19-13-5-3-6-14(19)12-15(11-13)20(23)22-17-8-2-1-7-16(17)18-9-4-10-24-18;/h1-2,4,7-10,13-15,19H,3,5-6,11-12,21H2,(H,22,23);1H.
What are the key properties of 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-thiophen-2-ylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).