7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid

C9H16N2O4S — CID 71251843

IUPAC7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESCC1CC2(CCN1C(=O)O)CCS(=O)(=O)N2
InChIInChI=1S/C9H16N2O4S/c1-7-6-9(2-4-11(7)8(12)13)3-5-16(14,15)10-9/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyVFDJLKDNGCHKEL-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.21
Rot. Bonds

About 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid

7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 71251843) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID71251843
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESCC1CC2(CCN1C(=O)O)CCS(=O)(=O)N2
InChIInChI=1S/C9H16N2O4S/c1-7-6-9(2-4-11(7)8(12)13)3-5-16(14,15)10-9/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyVFDJLKDNGCHKEL-UHFFFAOYSA-N
XLogP0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 71251843) is 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid is CC1CC2(CCN1C(=O)O)CCS(=O)(=O)N2.
What is the InChIKey of 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is VFDJLKDNGCHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-7-6-9(2-4-11(7)8(12)13)3-5-16(14,15)10-9/h7,10H,2-6H2,1H3,(H,12,13).
What are the key properties of 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid?
7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 71251843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).