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

C12H17N3O3S — CID 66369934

IUPACN-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
SMILESCNc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cn1
InChIInChI=1S/C12H17N3O3S/c1-13-12-5-4-11(6-14-12)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)
InChIKeyWYVWZYBCFHLESL-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.68
Rot. Bonds3

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

N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine (PubChem CID 66369934) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
PubChem CID66369934
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
SMILESCNc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cn1
InChIInChI=1S/C12H17N3O3S/c1-13-12-5-4-11(6-14-12)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)
InChIKeyWYVWZYBCFHLESL-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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Related Compounds

N-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 62146923
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 55158021
3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 114681627
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine
CID 66370906
5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 63175065
4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one
CID 65363865
N-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62157663
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 65324662
8-[[6-(methylamino)-3-pyridinyl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770383
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
CID 66370510
5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370317
3-[4-(chloromethyl)phenyl]sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66371637

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine (CID 66369934) is N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine is CNc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cn1.
What is the InChIKey of N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
The InChIKey is WYVWZYBCFHLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-12-5-4-11(6-14-12)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-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine?
N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-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-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 66369934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).