N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide

C18H23N3O3S — CID 126842464

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cn(S(C)(=O)=O)c3ccccc13)C2
InChIInChI=1S/C18H23N3O3S/c1-20-13-7-8-14(20)10-12(9-13)19-18(22)16-11-21(25(2,23)24)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3,(H,19,22)
InChIKeyPDOBQJJAFJMKKT-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.80
Rot. Bonds3

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide (PubChem CID 126842464) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide
PubChem CID126842464
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cn(S(C)(=O)=O)c3ccccc13)C2
InChIInChI=1S/C18H23N3O3S/c1-20-13-7-8-14(20)10-12(9-13)19-18(22)16-11-21(25(2,23)24)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3,(H,19,22)
InChIKeyPDOBQJJAFJMKKT-UHFFFAOYSA-N
XLogP1.80
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide (CID 126842464) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1cn(S(C)(=O)=O)c3ccccc13)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide?
The InChIKey is PDOBQJJAFJMKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20-13-7-8-14(20)10-12(9-13)19-18(22)16-11-21(25(2,23)24)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-methylsulfonylindole-3-carboxamide is sourced from PubChem (CID 126842464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).