N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine

C13H19N3O3S — CID 103306417

IUPACN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine
SMILESCCNc1cccnc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H19N3O3S/c1-2-14-12-4-3-7-15-13(12)20(17,18)16-8-10-5-6-11(9-16)19-10/h3-4,7,10-11,14H,2,5-6,8-9H2,1H3
InChIKeyDZSUYJXQDZPADW-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.07
Rot. Bonds4

About N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine

N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine (PubChem CID 103306417) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine
PubChem CID103306417
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine
SMILESCCNc1cccnc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H19N3O3S/c1-2-14-12-4-3-7-15-13(12)20(17,18)16-8-10-5-6-11(9-16)19-10/h3-4,7,10-11,14H,2,5-6,8-9H2,1H3
InChIKeyDZSUYJXQDZPADW-UHFFFAOYSA-N
XLogP1.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine with MolForge

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Related Compounds

2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103307057
N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103307176
2-(2,5-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-3-amine
CID 103306376
4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 103306494
N-ethyl-2-(2-methylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103302961
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine
CID 103305199
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
2-(3-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303754
3-(ethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103303867
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202
1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
CID 103305498

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine?
The IUPAC name of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine (CID 103306417) is N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine.
What is the SMILES notation for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine?
The canonical SMILES for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine is CCNc1cccnc1S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine?
The InChIKey is DZSUYJXQDZPADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-14-12-4-3-7-15-13(12)20(17,18)16-8-10-5-6-11(9-16)19-10/h3-4,7,10-11,14H,2,5-6,8-9H2,1H3.
What are the key properties of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine?
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine has a molecular weight of 297.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 103306417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).