3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide

C14H21N3OS — CID 65472913

IUPAC3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)c1sccc1N)C2
InChIInChI=1S/C14H21N3OS/c1-17-10-3-2-4-11(17)8-9(7-10)16-14(18)13-12(15)5-6-19-13/h5-6,9-11H,2-4,7-8,15H2,1H3,(H,16,18)
InChIKeyXFFNHMVIFYQVMD-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.08
Rot. Bonds2

About 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide

3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide (PubChem CID 65472913) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide
PubChem CID65472913
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)c1sccc1N)C2
InChIInChI=1S/C14H21N3OS/c1-17-10-3-2-4-11(17)8-9(7-10)16-14(18)13-12(15)5-6-19-13/h5-6,9-11H,2-4,7-8,15H2,1H3,(H,16,18)
InChIKeyXFFNHMVIFYQVMD-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 79706556
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 65471480
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
CID 63996432
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 67274324
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
1-cyclopropyl-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-(thiophen-2-ylmethyl)urea
CID 98204494
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide (CID 65472913) is 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide is CN1C2CCCC1CC(NC(=O)c1sccc1N)C2.
What is the InChIKey of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide?
The InChIKey is XFFNHMVIFYQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-17-10-3-2-4-11(17)8-9(7-10)16-14(18)13-12(15)5-6-19-13/h5-6,9-11H,2-4,7-8,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide?
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 65472913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).