N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide

C15H19N3O2S2 — CID 126823243

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide
SMILESCN(C1CN2CCC1CC2)S(=O)(=O)c1cnc2ccsc2c1
InChIInChI=1S/C15H19N3O2S2/c1-17(14-10-18-5-2-11(14)3-6-18)22(19,20)12-8-15-13(16-9-12)4-7-21-15/h4,7-9,11,14H,2-3,5-6,10H2,1H3
InChIKeyRTLITSPWVXSBRU-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.01
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide (PubChem CID 126823243) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide
PubChem CID126823243
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide
SMILESCN(C1CN2CCC1CC2)S(=O)(=O)c1cnc2ccsc2c1
InChIInChI=1S/C15H19N3O2S2/c1-17(14-10-18-5-2-11(14)3-6-18)22(19,20)12-8-15-13(16-9-12)4-7-21-15/h4,7-9,11,14H,2-3,5-6,10H2,1H3
InChIKeyRTLITSPWVXSBRU-UHFFFAOYSA-N
XLogP2.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide (CID 126823243) is N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide is CN(C1CN2CCC1CC2)S(=O)(=O)c1cnc2ccsc2c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide?
The InChIKey is RTLITSPWVXSBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-17(14-10-18-5-2-11(14)3-6-18)22(19,20)12-8-15-13(16-9-12)4-7-21-15/h4,7-9,11,14H,2-3,5-6,10H2,1H3.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide has a molecular weight of 337.47 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide is sourced from PubChem (CID 126823243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).