N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide

C13H25NO5S — CID 79119483

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H25NO5S/c1-3-17-10-11-20(15,16)14(2)12-4-6-13(7-5-12)18-8-9-19-13/h12H,3-11H2,1-2H3
InChIKeyQDOOVVYEVORILR-UHFFFAOYSA-N
MW307.41 g/mol
LogP0.97
Rot. Bonds6

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide (PubChem CID 79119483) has the molecular formula C13H25NO5S and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide
PubChem CID79119483
Molecular FormulaC13H25NO5S
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H25NO5S/c1-3-17-10-11-20(15,16)14(2)12-4-6-13(7-5-12)18-8-9-19-13/h12H,3-11H2,1-2H3
InChIKeyQDOOVVYEVORILR-UHFFFAOYSA-N
XLogP0.97
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide (CID 79119483) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is QDOOVVYEVORILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S/c1-3-17-10-11-20(15,16)14(2)12-4-6-13(7-5-12)18-8-9-19-13/h12H,3-11H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 307.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 79119483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).