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

C12H16BrN3O3S — CID 66370317

IUPAC5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H16BrN3O3S/c1-14-12-11(4-8(13)5-15-12)20(17,18)16-6-9-2-3-10(7-16)19-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyGMSPRLZXAIDTHX-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.44
Rot. Bonds3

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

5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine (PubChem CID 66370317) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
PubChem CID66370317
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H16BrN3O3S/c1-14-12-11(4-8(13)5-15-12)20(17,18)16-6-9-2-3-10(7-16)19-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyGMSPRLZXAIDTHX-UHFFFAOYSA-N
XLogP1.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370127
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806
[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628564
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152979
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-bromo-N-ethylpyridin-2-amine
CID 115561618
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
5-bromo-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63616444
3-[(5-bromo-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370500
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
CID 66370510
5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
CID 62149891
5-bromo-3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 107458860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine (CID 66370317) is 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine is CNc1ncc(Br)cc1S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The InChIKey is GMSPRLZXAIDTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c1-14-12-11(4-8(13)5-15-12)20(17,18)16-6-9-2-3-10(7-16)19-9/h4-5,9-10H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine has a molecular weight of 362.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 66370317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).