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

C12H17N3O3S — CID 66370510

IUPACN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
SMILESCNc1ccncc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H17N3O3S/c1-13-11-4-5-14-6-12(11)19(16,17)15-7-9-2-3-10(8-15)18-9/h4-6,9-10H,2-3,7-8H2,1H3,(H,13,14)
InChIKeyISTKXNBSTDDPIF-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.68
Rot. Bonds3

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

N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine (PubChem CID 66370510) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
PubChem CID66370510
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
SMILESCNc1ccncc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H17N3O3S/c1-13-11-4-5-14-6-12(11)19(16,17)15-7-9-2-3-10(8-15)18-9/h4-6,9-10H,2-3,7-8H2,1H3,(H,13,14)
InChIKeyISTKXNBSTDDPIF-UHFFFAOYSA-N
XLogP0.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine?
The IUPAC name of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine (CID 66370510) is N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine?
The canonical SMILES for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine is CNc1ccncc1S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine?
The InChIKey is ISTKXNBSTDDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-11-4-5-14-6-12(11)19(16,17)15-7-9-2-3-10(8-15)18-9/h4-6,9-10H,2-3,7-8H2,1H3,(H,13,14).
What are the key properties of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine?
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine has a molecular weight of 283.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine is sourced from PubChem (CID 66370510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).