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

C13H18BrN3O3S — CID 66370127

IUPAC5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H18BrN3O3S/c1-2-15-13-12(5-9(14)6-16-13)21(18,19)17-7-10-3-4-11(8-17)20-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyPXTYWKSIWFMRTJ-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.83
Rot. Bonds4

About 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine

5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine (PubChem CID 66370127) has the molecular formula C13H18BrN3O3S and a molecular weight of 376.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
PubChem CID66370127
Molecular FormulaC13H18BrN3O3S
Molecular Weight376.28 g/mol
Exact Mass375.03
IUPAC Name5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H18BrN3O3S/c1-2-15-13-12(5-9(14)6-16-13)21(18,19)17-7-10-3-4-11(8-17)20-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyPXTYWKSIWFMRTJ-UHFFFAOYSA-N
XLogP1.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine with MolForge

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Related Compounds

5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370317
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-bromo-N-ethylpyridin-2-amine
CID 115561618
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806
5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626897
[1-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-yl]methanol
CID 62163664
5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine
CID 62147186
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
N-[[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 66372086
[5-bromo-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61298747
3-[(5-bromo-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine (CID 66370127) is 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine is CCNc1ncc(Br)cc1S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The InChIKey is PXTYWKSIWFMRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3S/c1-2-15-13-12(5-9(14)6-16-13)21(18,19)17-7-10-3-4-11(8-17)20-10/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine has a molecular weight of 376.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 66370127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).