8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol

C11H16N2O3S2 — CID 103847919

IUPAC8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ncc(S(=O)(=O)N2C3CCC2CC(O)C3)s1
InChIInChI=1S/C11H16N2O3S2/c1-7-12-6-11(17-7)18(15,16)13-8-2-3-9(13)5-10(14)4-8/h6,8-10,14H,2-5H2,1H3
InChIKeyAOHDVURUWDFTRD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.13
Rot. Bonds2

About 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 103847919) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID103847919
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ncc(S(=O)(=O)N2C3CCC2CC(O)C3)s1
InChIInChI=1S/C11H16N2O3S2/c1-7-12-6-11(17-7)18(15,16)13-8-2-3-9(13)5-10(14)4-8/h6,8-10,14H,2-5H2,1H3
InChIKeyAOHDVURUWDFTRD-UHFFFAOYSA-N
XLogP1.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 103847919) is 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1ncc(S(=O)(=O)N2C3CCC2CC(O)C3)s1.
What is the InChIKey of 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AOHDVURUWDFTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-7-12-6-11(17-7)18(15,16)13-8-2-3-9(13)5-10(14)4-8/h6,8-10,14H,2-5H2,1H3.
What are the key properties of 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 288.39 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 103847919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).