2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide

C11H21NO4S — CID 59641531

IUPAC2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide
SMILESCC1CC(C)OC2(CCC(S(N)(=O)=O)CC2)O1
InChIInChI=1S/C11H21NO4S/c1-8-7-9(2)16-11(15-8)5-3-10(4-6-11)17(12,13)14/h8-10H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyRQPRTHJBJCIGRJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.13
Rot. Bonds1

About 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide

2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide (PubChem CID 59641531) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide
PubChem CID59641531
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide
SMILESCC1CC(C)OC2(CCC(S(N)(=O)=O)CC2)O1
InChIInChI=1S/C11H21NO4S/c1-8-7-9(2)16-11(15-8)5-3-10(4-6-11)17(12,13)14/h8-10H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyRQPRTHJBJCIGRJ-UHFFFAOYSA-N
XLogP1.13
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide?
The IUPAC name of 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide (CID 59641531) is 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide?
The canonical SMILES for 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide is CC1CC(C)OC2(CCC(S(N)(=O)=O)CC2)O1.
What is the InChIKey of 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide?
The InChIKey is RQPRTHJBJCIGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8-7-9(2)16-11(15-8)5-3-10(4-6-11)17(12,13)14/h8-10H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide?
2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-sulfonamide is sourced from PubChem (CID 59641531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).