8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C11H20N2O3S — CID 65416824

IUPAC8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(C1CCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H20N2O3S/c14-10-5-8-1-2-9(6-10)13(8)17(15,16)11-3-4-12-7-11/h8-12,14H,1-7H2
InChIKeyKBPAZVXMEJDSJR-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.33
Rot. Bonds2

About 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65416824) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65416824
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(C1CCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H20N2O3S/c14-10-5-8-1-2-9(6-10)13(8)17(15,16)11-3-4-12-7-11/h8-12,14H,1-7H2
InChIKeyKBPAZVXMEJDSJR-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 65416824) is 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(C1CCNC1)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KBPAZVXMEJDSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-10-5-8-1-2-9(6-10)13(8)17(15,16)11-3-4-12-7-11/h8-12,14H,1-7H2.
What are the key properties of 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 260.36 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65416824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).