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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Related Compounds

1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
CID 68762000
2-[1-[(1R,5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl]indol-3-yl]-2-oxoacetamide
CID 90266735
1-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
CID 140797945
1-tri(propan-2-yl)silylindole-3-carboxamide
CID 173113121
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
(2-iodophenyl)-[1-[(3R)-1-methylazepan-3-yl]indol-3-yl]methanone
CID 124518631
1-(2-bromobenzoyl)indole-3-carboxamide
CID 91690367
1-cyclopropyl-3-methylsulfanylindole
CID 174184058
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
ethane;methyl 2-[1-(9-cyclodecyl-6-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol-3-yl]-2-oxoacetate
CID 144657401
1-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]indole-3-carboxamide
CID 166009085
1-[(4-bromophenyl)methyl]indole-3-carboxamide
CID 91690104

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).