N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine

C12H15F3N4O2S — CID 98894609

IUPACN-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine
SMILESO=S(=O)(N1CCC2(CC(Nc3ncccn3)C2)C1)C(F)(F)F
InChIInChI=1S/C12H15F3N4O2S/c13-12(14,15)22(20,21)19-5-2-11(8-19)6-9(7-11)18-10-16-3-1-4-17-10/h1,3-4,9H,2,5-8H2,(H,16,17,18)
InChIKeyQOBRNWMQWJCTIE-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.59
Rot. Bonds3

About N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine

N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine (PubChem CID 98894609) has the molecular formula C12H15F3N4O2S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine
PubChem CID98894609
Molecular FormulaC12H15F3N4O2S
Molecular Weight336.34 g/mol
Exact Mass336.09
IUPAC NameN-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine
SMILESO=S(=O)(N1CCC2(CC(Nc3ncccn3)C2)C1)C(F)(F)F
InChIInChI=1S/C12H15F3N4O2S/c13-12(14,15)22(20,21)19-5-2-11(8-19)6-9(7-11)18-10-16-3-1-4-17-10/h1,3-4,9H,2,5-8H2,(H,16,17,18)
InChIKeyQOBRNWMQWJCTIE-UHFFFAOYSA-N
XLogP1.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone
CID 131644225
N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine
CID 98894515
6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine
CID 98894753
(3R,5R)-7-ethylsulfonyl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778009
(2-methyl-1,3-thiazol-4-yl)-[2-(pyrimidin-2-ylamino)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 98895991
4-(4-chlorophenyl)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
CID 54583005
6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
CID 110139352
(4R)-9-ethylsulfonyl-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98894497
(3S)-8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488342
4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
CID 81103098
N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine
CID 155901000
2-[3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 155849676

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine (CID 98894609) is N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine is O=S(=O)(N1CCC2(CC(Nc3ncccn3)C2)C1)C(F)(F)F.
What is the InChIKey of N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine?
The InChIKey is QOBRNWMQWJCTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2S/c13-12(14,15)22(20,21)19-5-2-11(8-19)6-9(7-11)18-10-16-3-1-4-17-10/h1,3-4,9H,2,5-8H2,(H,16,17,18).
What are the key properties of N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine?
N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine has a molecular weight of 336.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 98894609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).