N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine

C13H19FN4O3S — CID 131661405

IUPACN-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESCS(=O)(=O)N1CCCC2(CC(Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C13H19FN4O3S/c1-22(19,20)18-4-2-3-13(9-18)5-11(8-21-13)17-12-15-6-10(14)7-16-12/h6-7,11H,2-5,8-9H2,1H3,(H,15,16,17)
InChIKeyVFTMUGNXZXGDTA-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.61
Rot. Bonds3

About N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine

N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine (PubChem CID 131661405) has the molecular formula C13H19FN4O3S and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
PubChem CID131661405
Molecular FormulaC13H19FN4O3S
Molecular Weight330.39 g/mol
Exact Mass330.12
IUPAC NameN-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESCS(=O)(=O)N1CCCC2(CC(Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C13H19FN4O3S/c1-22(19,20)18-4-2-3-13(9-18)5-11(8-21-13)17-12-15-6-10(14)7-16-12/h6-7,11H,2-5,8-9H2,1H3,(H,15,16,17)
InChIKeyVFTMUGNXZXGDTA-UHFFFAOYSA-N
XLogP0.61
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine (CID 131661405) is N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine is CS(=O)(=O)N1CCCC2(CC(Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The InChIKey is VFTMUGNXZXGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O3S/c1-22(19,20)18-4-2-3-13(9-18)5-11(8-21-13)17-12-15-6-10(14)7-16-12/h6-7,11H,2-5,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine?
N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine has a molecular weight of 330.39 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 131661405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).