N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide

C13H17ClN2OS — CID 18181690

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CN3CCC2CC3)cc1Cl
InChIInChI=1S/C13H17ClN2OS/c1-8-10(14)6-12(18-8)13(17)15-11-7-16-4-2-9(11)3-5-16/h6,9,11H,2-5,7H2,1H3,(H,15,17)
InChIKeyQMNADVZUHIZTSM-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.53
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide (PubChem CID 18181690) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide
PubChem CID18181690
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CN3CCC2CC3)cc1Cl
InChIInChI=1S/C13H17ClN2OS/c1-8-10(14)6-12(18-8)13(17)15-11-7-16-4-2-9(11)3-5-16/h6,9,11H,2-5,7H2,1H3,(H,15,17)
InChIKeyQMNADVZUHIZTSM-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-4-cyanothiophene-2-carboxamide
CID 18181357
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 77498341
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 91948603
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-5-phenylthiophene-2-carboxamide
CID 18180378
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 10125921
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 18181309
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)thiophene-2-carboxamide
CID 18182118
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
CID 3980105
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62167795

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide (CID 18181690) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC2CN3CCC2CC3)cc1Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide?
The InChIKey is QMNADVZUHIZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-8-10(14)6-12(18-8)13(17)15-11-7-16-4-2-9(11)3-5-16/h6,9,11H,2-5,7H2,1H3,(H,15,17).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide has a molecular weight of 284.81 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 18181690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).