(1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C10H14N4O2S — CID 166280604

IUPAC(1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1cnsn1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C10H14N4O2S/c15-8-3-6-1-2-7(4-8)14(6)10(16)12-9-5-11-17-13-9/h5-8,15H,1-4H2,(H,12,13,16)/t6-,7+,8?
InChIKeyCIJMZBQWGMCGBL-DHBOJHSNSA-N
MW254.31 g/mol
LogP1.06
Rot. Bonds1

About (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

(1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 166280604) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID166280604
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name(1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1cnsn1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C10H14N4O2S/c15-8-3-6-1-2-7(4-8)14(6)10(16)12-9-5-11-17-13-9/h5-8,15H,1-4H2,(H,12,13,16)/t6-,7+,8?
InChIKeyCIJMZBQWGMCGBL-DHBOJHSNSA-N
XLogP1.06
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 166280604) is (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1cnsn1)N1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is CIJMZBQWGMCGBL-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-8-3-6-1-2-7(4-8)14(6)10(16)12-9-5-11-17-13-9/h5-8,15H,1-4H2,(H,12,13,16)/t6-,7+,8?.
What are the key properties of (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-hydroxy-N-(1,2,5-thiadiazol-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 166280604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).