2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide

C14H20N2O3S — CID 97440618

IUPAC2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide
SMILESCN1CC2(CCNCC2)COc2ccccc2S1(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-16-10-14(6-8-15-9-7-14)11-19-12-4-2-3-5-13(12)20(16,17)18/h2-5,15H,6-11H2,1H3
InChIKeyQQYOZQVSAWBJDP-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.07
Rot. Bonds

About 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide

2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide (PubChem CID 97440618) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide.

Molecular Properties

Compound Name2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide
PubChem CID97440618
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide
SMILESCN1CC2(CCNCC2)COc2ccccc2S1(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-16-10-14(6-8-15-9-7-14)11-19-12-4-2-3-5-13(12)20(16,17)18/h2-5,15H,6-11H2,1H3
InChIKeyQQYOZQVSAWBJDP-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide?
The IUPAC name of 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide (CID 97440618) is 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide.
What is the SMILES notation for 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide?
The canonical SMILES for 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide is CN1CC2(CCNCC2)COc2ccccc2S1(=O)=O.
What is the InChIKey of 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide?
The InChIKey is QQYOZQVSAWBJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-16-10-14(6-8-15-9-7-14)11-19-12-4-2-3-5-13(12)20(16,17)18/h2-5,15H,6-11H2,1H3.
What are the key properties of 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide?
2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide has a molecular weight of 296.39 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide is sourced from PubChem (CID 97440618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).