5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine

C10H14N4O3S — CID 66370906

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)N2CC3CCC(C2)O3)cn1
InChIInChI=1S/C10H14N4O3S/c11-10-12-3-9(4-13-10)18(15,16)14-5-7-1-2-8(6-14)17-7/h3-4,7-8H,1-2,5-6H2,(H2,11,12,13)
InChIKeyVYIOCGOPYZOQIN-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.39
Rot. Bonds2

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

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine (PubChem CID 66370906) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine
PubChem CID66370906
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)N2CC3CCC(C2)O3)cn1
InChIInChI=1S/C10H14N4O3S/c11-10-12-3-9(4-13-10)18(15,16)14-5-7-1-2-8(6-14)17-7/h3-4,7-8H,1-2,5-6H2,(H2,11,12,13)
InChIKeyVYIOCGOPYZOQIN-UHFFFAOYSA-N
XLogP-0.39
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66369934
2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66392269
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099
3-[(5-bromo-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370500
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
CID 66369552
5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine
CID 62992250
5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 55050229
2-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 81438019
5-(2-ethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
CID 62147516
5-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66393238
3-[4-(chloromethyl)phenyl]sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66371637
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741

Frequently Asked Questions

What is the IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine (CID 66370906) is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine is Nc1ncc(S(=O)(=O)N2CC3CCC(C2)O3)cn1.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine?
The InChIKey is VYIOCGOPYZOQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c11-10-12-3-9(4-13-10)18(15,16)14-5-7-1-2-8(6-14)17-7/h3-4,7-8H,1-2,5-6H2,(H2,11,12,13).
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine?
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine has a molecular weight of 270.31 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrimidin-2-amine is sourced from PubChem (CID 66370906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).