2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide

C12H21NO4S — CID 139332370

IUPAC2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide
SMILESCC(C)(CC1CC2(CCC1=O)OCCO2)S(N)=O
InChIInChI=1S/C12H21NO4S/c1-11(2,18(13)15)7-9-8-12(4-3-10(9)14)16-5-6-17-12/h9H,3-8,13H2,1-2H3
InChIKeyMMCAFHNFOWMJKB-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.89
Rot. Bonds3

About 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide

2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide (PubChem CID 139332370) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide
PubChem CID139332370
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide
SMILESCC(C)(CC1CC2(CCC1=O)OCCO2)S(N)=O
InChIInChI=1S/C12H21NO4S/c1-11(2,18(13)15)7-9-8-12(4-3-10(9)14)16-5-6-17-12/h9H,3-8,13H2,1-2H3
InChIKeyMMCAFHNFOWMJKB-UHFFFAOYSA-N
XLogP0.89
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide (CID 139332370) is 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide is CC(C)(CC1CC2(CCC1=O)OCCO2)S(N)=O.
What is the InChIKey of 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide?
The InChIKey is MMCAFHNFOWMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-11(2,18(13)15)7-9-8-12(4-3-10(9)14)16-5-6-17-12/h9H,3-8,13H2,1-2H3.
What are the key properties of 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide?
2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide has a molecular weight of 275.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide is sourced from PubChem (CID 139332370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).