8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine

C11H21N3O2S — CID 61233695

IUPAC8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H21N3O2S/c12-9-7-10-3-4-11(8-9)14(10)17(15,16)13-5-1-2-6-13/h9-11H,1-8,12H2
InChIKeyUYWFHHSJSWPDFM-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.28
Rot. Bonds2

About 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine

8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233695) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233695
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H21N3O2S/c12-9-7-10-3-4-11(8-9)14(10)17(15,16)13-5-1-2-6-13/h9-11H,1-8,12H2
InChIKeyUYWFHHSJSWPDFM-UHFFFAOYSA-N
XLogP0.28
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61233695) is 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2S(=O)(=O)N1CCCC1.
What is the InChIKey of 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UYWFHHSJSWPDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c12-9-7-10-3-4-11(8-9)14(10)17(15,16)13-5-1-2-6-13/h9-11H,1-8,12H2.
What are the key properties of 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 259.37 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrrolidin-1-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).