3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine

C11H15N3O3S — CID 66369552

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
SMILESNc1ccncc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H15N3O3S/c12-10-3-4-13-5-11(10)18(15,16)14-6-8-1-2-9(7-14)17-8/h3-5,8-9H,1-2,6-7H2,(H2,12,13)
InChIKeyJLDFCYYWTADJTQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.22
Rot. Bonds2

About 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine (PubChem CID 66369552) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
PubChem CID66369552
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
SMILESNc1ccncc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H15N3O3S/c12-10-3-4-13-5-11(10)18(15,16)14-6-8-1-2-9(7-14)17-8/h3-5,8-9H,1-2,6-7H2,(H2,12,13)
InChIKeyJLDFCYYWTADJTQ-UHFFFAOYSA-N
XLogP0.22
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine (CID 66369552) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine is Nc1ccncc1S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine?
The InChIKey is JLDFCYYWTADJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-10-3-4-13-5-11(10)18(15,16)14-6-8-1-2-9(7-14)17-8/h3-5,8-9H,1-2,6-7H2,(H2,12,13).
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine?
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine has a molecular weight of 269.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine is sourced from PubChem (CID 66369552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).