N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide

C15H25N3O4S — CID 138047887

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide
SMILESCc1noc(CCCNS(=O)(=O)CC2CC3(CCCC3)CO2)n1
InChIInChI=1S/C15H25N3O4S/c1-12-17-14(22-18-12)5-4-8-16-23(19,20)10-13-9-15(11-21-13)6-2-3-7-15/h13,16H,2-11H2,1H3
InChIKeyYDOBKTJWSUOKAG-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.58
Rot. Bonds7

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide (PubChem CID 138047887) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide
PubChem CID138047887
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide
SMILESCc1noc(CCCNS(=O)(=O)CC2CC3(CCCC3)CO2)n1
InChIInChI=1S/C15H25N3O4S/c1-12-17-14(22-18-12)5-4-8-16-23(19,20)10-13-9-15(11-21-13)6-2-3-7-15/h13,16H,2-11H2,1H3
InChIKeyYDOBKTJWSUOKAG-UHFFFAOYSA-N
XLogP1.58
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide (CID 138047887) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide is Cc1noc(CCCNS(=O)(=O)CC2CC3(CCCC3)CO2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide?
The InChIKey is YDOBKTJWSUOKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-12-17-14(22-18-12)5-4-8-16-23(19,20)10-13-9-15(11-21-13)6-2-3-7-15/h13,16H,2-11H2,1H3.
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(2-oxaspiro[4.4]nonan-3-yl)methanesulfonamide is sourced from PubChem (CID 138047887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).