N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C13H21N3O3S — CID 43597940

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC2CCNC3(CCC3)C2)no1
InChIInChI=1S/C13H21N3O3S/c1-10-7-12(15-19-10)9-20(17,18)16-11-3-6-14-13(8-11)4-2-5-13/h7,11,14,16H,2-6,8-9H2,1H3
InChIKeyHWXRYDPDRGOHNR-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.08
Rot. Bonds4

About N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 43597940) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID43597940
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC2CCNC3(CCC3)C2)no1
InChIInChI=1S/C13H21N3O3S/c1-10-7-12(15-19-10)9-20(17,18)16-11-3-6-14-13(8-11)4-2-5-13/h7,11,14,16H,2-6,8-9H2,1H3
InChIKeyHWXRYDPDRGOHNR-UHFFFAOYSA-N
XLogP1.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 43597940) is N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)NC2CCNC3(CCC3)C2)no1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is HWXRYDPDRGOHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-7-12(15-19-10)9-20(17,18)16-11-3-6-14-13(8-11)4-2-5-13/h7,11,14,16H,2-6,8-9H2,1H3.
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 43597940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).