N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide

C14H22N4O3S — CID 118739186

IUPACN-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
SMILESCc1cnc(N2CCC3(CC2)CC(NS(C)(=O)=O)CO3)nc1
InChIInChI=1S/C14H22N4O3S/c1-11-8-15-13(16-9-11)18-5-3-14(4-6-18)7-12(10-21-14)17-22(2,19)20/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyZKPUAOROOXJEHV-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.46
Rot. Bonds3

About N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide

N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide (PubChem CID 118739186) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
PubChem CID118739186
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
SMILESCc1cnc(N2CCC3(CC2)CC(NS(C)(=O)=O)CO3)nc1
InChIInChI=1S/C14H22N4O3S/c1-11-8-15-13(16-9-11)18-5-3-14(4-6-18)7-12(10-21-14)17-22(2,19)20/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyZKPUAOROOXJEHV-UHFFFAOYSA-N
XLogP0.46
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The IUPAC name of N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide (CID 118739186) is N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The canonical SMILES for N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide is Cc1cnc(N2CCC3(CC2)CC(NS(C)(=O)=O)CO3)nc1.
What is the InChIKey of N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The InChIKey is ZKPUAOROOXJEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-11-8-15-13(16-9-11)18-5-3-14(4-6-18)7-12(10-21-14)17-22(2,19)20/h8-9,12,17H,3-7,10H2,1-2H3.
What are the key properties of N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide is sourced from PubChem (CID 118739186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).