(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C8H15NO3S — CID 66778131

IUPAC(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCS(=O)(=O)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C8H15NO3S/c1-13(11,12)9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChIKeyPFNINWFAYARTTF-DHBOJHSNSA-N
MW205.28 g/mol
LogP-0.07
Rot. Bonds1

About (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 66778131) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID66778131
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCS(=O)(=O)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C8H15NO3S/c1-13(11,12)9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChIKeyPFNINWFAYARTTF-DHBOJHSNSA-N
XLogP-0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 66778131) is (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is CS(=O)(=O)N1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PFNINWFAYARTTF-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(11,12)9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 205.28 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 66778131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).