N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide

C10H19NO4S — CID 47372558

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H19NO4S/c1-2-16(12,13)11-9-3-5-10(6-4-9)14-7-8-15-10/h9,11H,2-8H2,1H3
InChIKeyCYZZYBGWQRHUPY-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.61
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide (PubChem CID 47372558) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
PubChem CID47372558
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H19NO4S/c1-2-16(12,13)11-9-3-5-10(6-4-9)14-7-8-15-10/h9,11H,2-8H2,1H3
InChIKeyCYZZYBGWQRHUPY-UHFFFAOYSA-N
XLogP0.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide (CID 47372558) is N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide?
The InChIKey is CYZZYBGWQRHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-16(12,13)11-9-3-5-10(6-4-9)14-7-8-15-10/h9,11H,2-8H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide has a molecular weight of 249.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide is sourced from PubChem (CID 47372558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).