3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide

C15H21NO3S — CID 128586564

IUPAC3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NC2CC23CCOCC3)c1
InChIInChI=1S/C15H21NO3S/c1-2-12-4-3-5-13(10-12)20(17,18)16-14-11-15(14)6-8-19-9-7-15/h3-5,10,14,16H,2,6-9,11H2,1H3
InChIKeyZVGQIRLZJDMOQL-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.10
Rot. Bonds4

About 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide

3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide (PubChem CID 128586564) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide
PubChem CID128586564
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NC2CC23CCOCC3)c1
InChIInChI=1S/C15H21NO3S/c1-2-12-4-3-5-13(10-12)20(17,18)16-14-11-15(14)6-8-19-9-7-15/h3-5,10,14,16H,2,6-9,11H2,1H3
InChIKeyZVGQIRLZJDMOQL-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
CID 122276632
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 122276601
3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 113482368
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122276592
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276580
methyl 4-(7-oxaspiro[3.5]nonan-3-ylsulfamoyl)benzoate
CID 122276607
ethyl 3-ethylbenzenesulfonate
CID 22762316
N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide
CID 115767116

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide?
The IUPAC name of 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide (CID 128586564) is 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide is CCc1cccc(S(=O)(=O)NC2CC23CCOCC3)c1.
What is the InChIKey of 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide?
The InChIKey is ZVGQIRLZJDMOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-12-4-3-5-13(10-12)20(17,18)16-14-11-15(14)6-8-19-9-7-15/h3-5,10,14,16H,2,6-9,11H2,1H3.
What are the key properties of 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide?
3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide is sourced from PubChem (CID 128586564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).