N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide

C19H24N4OS2 — CID 20806876

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2sc(N3CCSCC3)cc2cn1
InChIInChI=1S/C19H24N4OS2/c24-19(21-15-7-13-1-2-22(11-13)12-15)16-9-17-14(10-20-16)8-18(26-17)23-3-5-25-6-4-23/h8-10,13,15H,1-7,11-12H2,(H,21,24)/t13-,15-/m1/s1
InChIKeyVMVAENQOYKNQCR-UKRRQHHQSA-N
MW388.56 g/mol
LogP2.67
Rot. Bonds3

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide (PubChem CID 20806876) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide
PubChem CID20806876
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2sc(N3CCSCC3)cc2cn1
InChIInChI=1S/C19H24N4OS2/c24-19(21-15-7-13-1-2-22(11-13)12-15)16-9-17-14(10-20-16)8-18(26-17)23-3-5-25-6-4-23/h8-10,13,15H,1-7,11-12H2,(H,21,24)/t13-,15-/m1/s1
InChIKeyVMVAENQOYKNQCR-UKRRQHHQSA-N
XLogP2.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide (CID 20806876) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2sc(N3CCSCC3)cc2cn1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is VMVAENQOYKNQCR-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H24N4OS2/c24-19(21-15-7-13-1-2-22(11-13)12-15)16-9-17-14(10-20-16)8-18(26-17)23-3-5-25-6-4-23/h8-10,13,15H,1-7,11-12H2,(H,21,24)/t13-,15-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-thiomorpholin-4-ylthieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 20806876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).