1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide

C17H21N3OS — CID 67859526

IUPAC1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
SMILESCN1C2CSCC1CC(n1cc(C(N)=O)c3ccccc31)C2
InChIInChI=1S/C17H21N3OS/c1-19-12-6-11(7-13(19)10-22-9-12)20-8-15(17(18)21)14-4-2-3-5-16(14)20/h2-5,8,11-13H,6-7,9-10H2,1H3,(H2,18,21)
InChIKeyDLJWZLUGBPGNGP-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.49
Rot. Bonds2

About 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide

1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide (PubChem CID 67859526) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
PubChem CID67859526
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
SMILESCN1C2CSCC1CC(n1cc(C(N)=O)c3ccccc31)C2
InChIInChI=1S/C17H21N3OS/c1-19-12-6-11(7-13(19)10-22-9-12)20-8-15(17(18)21)14-4-2-3-5-16(14)20/h2-5,8,11-13H,6-7,9-10H2,1H3,(H2,18,21)
InChIKeyDLJWZLUGBPGNGP-UHFFFAOYSA-N
XLogP2.49
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The IUPAC name of 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide (CID 67859526) is 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The canonical SMILES for 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide is CN1C2CSCC1CC(n1cc(C(N)=O)c3ccccc31)C2.
What is the InChIKey of 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The InChIKey is DLJWZLUGBPGNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-19-12-6-11(7-13(19)10-22-9-12)20-8-15(17(18)21)14-4-2-3-5-16(14)20/h2-5,8,11-13H,6-7,9-10H2,1H3,(H2,18,21).
What are the key properties of 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide is sourced from PubChem (CID 67859526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).