N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide

C14H23N3O4S — CID 146149476

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide
SMILESCc1noc(CCNS(=O)(=O)CC2CCCC3(CCC3)O2)n1
InChIInChI=1S/C14H23N3O4S/c1-11-16-13(21-17-11)5-9-15-22(18,19)10-12-4-2-6-14(20-12)7-3-8-14/h12,15H,2-10H2,1H3
InChIKeyBVGNAWVIZPVFRI-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.33
Rot. Bonds6

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide (PubChem CID 146149476) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide
PubChem CID146149476
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide
SMILESCc1noc(CCNS(=O)(=O)CC2CCCC3(CCC3)O2)n1
InChIInChI=1S/C14H23N3O4S/c1-11-16-13(21-17-11)5-9-15-22(18,19)10-12-4-2-6-14(20-12)7-3-8-14/h12,15H,2-10H2,1H3
InChIKeyBVGNAWVIZPVFRI-UHFFFAOYSA-N
XLogP1.33
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106416534
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 106416995
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106419937
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide
CID 138047887
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide
CID 106423734
4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
CID 106414159
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
1-[(2R)-6,6-dimethyloxan-2-yl]-N-[2-(1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 164638505
4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 146123022
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylic acid
CID 106414979
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide (CID 146149476) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide is Cc1noc(CCNS(=O)(=O)CC2CCCC3(CCC3)O2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide?
The InChIKey is BVGNAWVIZPVFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-11-16-13(21-17-11)5-9-15-22(18,19)10-12-4-2-6-14(20-12)7-3-8-14/h12,15H,2-10H2,1H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5-oxaspiro[3.5]nonan-6-yl)methanesulfonamide is sourced from PubChem (CID 146149476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).