8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C15H24N4O3S — CID 118739544

IUPAC8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCCS(=O)(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C15H24N4O3S/c1-2-10-23(20,21)19-8-4-15(5-9-19)11-13(12-22-15)18-14-16-6-3-7-17-14/h3,6-7,13H,2,4-5,8-12H2,1H3,(H,16,17,18)
InChIKeyRIOGYJBHBVTKGO-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.25
Rot. Bonds5

About 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118739544) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118739544
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCCS(=O)(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C15H24N4O3S/c1-2-10-23(20,21)19-8-4-15(5-9-19)11-13(12-22-15)18-14-16-6-3-7-17-14/h3,6-7,13H,2,4-5,8-12H2,1H3,(H,16,17,18)
InChIKeyRIOGYJBHBVTKGO-UHFFFAOYSA-N
XLogP1.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118739544) is 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is CCCS(=O)(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2.
What is the InChIKey of 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is RIOGYJBHBVTKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-2-10-23(20,21)19-8-4-15(5-9-19)11-13(12-22-15)18-14-16-6-3-7-17-14/h3,6-7,13H,2,4-5,8-12H2,1H3,(H,16,17,18).
What are the key properties of 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 340.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propylsulfonyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118739544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).