5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide

C14H20N2O2S — CID 10062163

IUPAC5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
SMILESCOc1ccc([11C](=O)N[C@@H]2C3CCN(CC3)[C@H]2C)s1
InChIInChI=1S/C14H20N2O2S/c1-9-13(10-5-7-16(9)8-6-10)15-14(17)11-3-4-12(18-2)19-11/h3-4,9-10,13H,5-8H2,1-2H3,(H,15,17)/t9-,13-/m0/s1/i14-1
InChIKeyVPCAVLNPVOJMMR-LNOSSBIOSA-N
MW279.39 g/mol
LogP1.97
Rot. Bonds3

About 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide

5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide (PubChem CID 10062163) has the molecular formula C14H20N2O2S and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
PubChem CID10062163
Molecular FormulaC14H20N2O2S
Molecular Weight279.39 g/mol
Exact Mass279.14
IUPAC Name5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
SMILESCOc1ccc([11C](=O)N[C@@H]2C3CCN(CC3)[C@H]2C)s1
InChIInChI=1S/C14H20N2O2S/c1-9-13(10-5-7-16(9)8-6-10)15-14(17)11-3-4-12(18-2)19-11/h3-4,9-10,13H,5-8H2,1-2H3,(H,15,17)/t9-,13-/m0/s1/i14-1
InChIKeyVPCAVLNPVOJMMR-LNOSSBIOSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181229
5-[(2-methoxy-1,3-thiazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180711
5-(4-hydroxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181190
5-[(4-methoxy-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18182005
5-(3-acetamidophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181276
5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934
5-[3-[(2,2-difluoroacetyl)amino]phenoxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180523
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide
CID 18181393
4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383864
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide
CID 18181466
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-ylsulfanyl)thiophene-2-carboxamide
CID 18180759
5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18181708

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide?
The IUPAC name of 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide (CID 10062163) is 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide.
What is the SMILES notation for 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide?
The canonical SMILES for 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide is COc1ccc([11C](=O)N[C@@H]2C3CCN(CC3)[C@H]2C)s1.
What is the InChIKey of 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide?
The InChIKey is VPCAVLNPVOJMMR-LNOSSBIOSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-13(10-5-7-16(9)8-6-10)15-14(17)11-3-4-12(18-2)19-11/h3-4,9-10,13H,5-8H2,1-2H3,(H,15,17)/t9-,13-/m0/s1/i14-1.
What are the key properties of 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide?
5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide is sourced from PubChem (CID 10062163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).