N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide

C20H24N4O2S2 — CID 22047625

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESCC1C(NC(=O)c2cc3sc(N4CCSCC4=O)cc3cn2)C2CCN1CC2
InChIInChI=1S/C20H24N4O2S2/c1-12-19(13-2-4-23(12)5-3-13)22-20(26)15-9-16-14(10-21-15)8-18(28-16)24-6-7-27-11-17(24)25/h8-10,12-13,19H,2-7,11H2,1H3,(H,22,26)
InChIKeyGWWYPDUHLQBTPB-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.59
Rot. Bonds3

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 22047625) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide
PubChem CID22047625
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESCC1C(NC(=O)c2cc3sc(N4CCSCC4=O)cc3cn2)C2CCN1CC2
InChIInChI=1S/C20H24N4O2S2/c1-12-19(13-2-4-23(12)5-3-13)22-20(26)15-9-16-14(10-21-15)8-18(28-16)24-6-7-27-11-17(24)25/h8-10,12-13,19H,2-7,11H2,1H3,(H,22,26)
InChIKeyGWWYPDUHLQBTPB-UHFFFAOYSA-N
XLogP2.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047289
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047559
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperazin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047204
2-cyano-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047026
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzothiolo[3,2-c]pyridine-3-carboxamide
CID 21034438
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10292587
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10178159
2-(azetidine-1-carbonyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22047619
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-oxopiperazin-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 21034420
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047205
3-ethenyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047221
3-ethyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 10267724

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide (CID 22047625) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide is CC1C(NC(=O)c2cc3sc(N4CCSCC4=O)cc3cn2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is GWWYPDUHLQBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-12-19(13-2-4-23(12)5-3-13)22-20(26)15-9-16-14(10-21-15)8-18(28-16)24-6-7-27-11-17(24)25/h8-10,12-13,19H,2-7,11H2,1H3,(H,22,26).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 22047625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).