N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide

C17H20N2OS2 — CID 90644699

IUPACN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(-c3cccs3)s1)C2
InChIInChI=1S/C17H20N2OS2/c1-19-12-4-5-13(19)10-11(9-12)18-17(20)16-7-6-15(22-16)14-3-2-8-21-14/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,18,20)/t11?,12-,13+
InChIKeyHOYMYBXHUOKEKJ-YHWZYXNKSA-N
MW332.49 g/mol
LogP3.83
Rot. Bonds3

About N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide

N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide (PubChem CID 90644699) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
PubChem CID90644699
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(-c3cccs3)s1)C2
InChIInChI=1S/C17H20N2OS2/c1-19-12-4-5-13(19)10-11(9-12)18-17(20)16-7-6-15(22-16)14-3-2-8-21-14/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,18,20)/t11?,12-,13+
InChIKeyHOYMYBXHUOKEKJ-YHWZYXNKSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide with MolForge

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Related Compounds

1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide
CID 70108707
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylindole-3-carboxamide;hydrochloride
CID 70108700
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide
CID 66669652
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide
CID 69371833
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide
CID 65472913
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate
CID 46226661
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490992
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)thiophene-2-carboxamide
CID 113223630
3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide
CID 54290724

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide (CID 90644699) is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide is CN1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc(-c3cccs3)s1)C2.
What is the InChIKey of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide?
The InChIKey is HOYMYBXHUOKEKJ-YHWZYXNKSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-19-12-4-5-13(19)10-11(9-12)18-17(20)16-7-6-15(22-16)14-3-2-8-21-14/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,18,20)/t11?,12-,13+.
What are the key properties of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide?
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 90644699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).