N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide

C11H21NO4S — CID 47372557

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4S/c1-9(2)17(13,14)12-10-3-5-11(6-4-10)15-7-8-16-11/h9-10,12H,3-8H2,1-2H3
InChIKeyMKYAFTKXSLXNCX-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.00
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide (PubChem CID 47372557) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide
PubChem CID47372557
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4S/c1-9(2)17(13,14)12-10-3-5-11(6-4-10)15-7-8-16-11/h9-10,12H,3-8H2,1-2H3
InChIKeyMKYAFTKXSLXNCX-UHFFFAOYSA-N
XLogP1.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.00
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)propane-2-sulfonamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide (CID 47372557) is N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide?
The InChIKey is MKYAFTKXSLXNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)17(13,14)12-10-3-5-11(6-4-10)15-7-8-16-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)propane-2-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of 1.00, 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)propane-2-sulfonamide is sourced from PubChem (CID 47372557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).