N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide

C20H24N4O2S2 — CID 66814792

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(C(=O)N3CCSCC3)csc2cn1
InChIInChI=1S/C20H24N4O2S2/c25-19(22-14-7-13-1-2-23(10-13)11-14)17-8-15-16(12-28-18(15)9-21-17)20(26)24-3-5-27-6-4-24/h8-9,12-14H,1-7,10-11H2,(H,22,25)/t13-,14+/m0/s1
InChIKeyZTTKPJXQQDCTEL-UONOGXRCSA-N
MW416.57 g/mol
LogP2.31
Rot. Bonds3

About N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 66814792) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
PubChem CID66814792
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(C(=O)N3CCSCC3)csc2cn1
InChIInChI=1S/C20H24N4O2S2/c25-19(22-14-7-13-1-2-23(10-13)11-14)17-8-15-16(12-28-18(15)9-21-17)20(26)24-3-5-27-6-4-24/h8-9,12-14H,1-7,10-11H2,(H,22,25)/t13-,14+/m0/s1
InChIKeyZTTKPJXQQDCTEL-UONOGXRCSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide (CID 66814792) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(C(=O)N3CCSCC3)csc2cn1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is ZTTKPJXQQDCTEL-UONOGXRCSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c25-19(22-14-7-13-1-2-23(10-13)11-14)17-8-15-16(12-28-18(15)9-21-17)20(26)24-3-5-27-6-4-24/h8-9,12-14H,1-7,10-11H2,(H,22,25)/t13-,14+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(thiomorpholine-4-carbonyl)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66814792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).