6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide

C13H16N4O5S — CID 138005250

IUPAC6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide
SMILESCc1ncc(S(N)(=O)=O)cc1C(=O)N1CC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C13H16N4O5S/c1-8-10(3-9(4-15-8)23(14,20)21)11(18)17-6-13(7-17)5-16(2)12(19)22-13/h3-4H,5-7H2,1-2H3,(H2,14,20,21)
InChIKeyZECKTAGLPHQNCT-UHFFFAOYSA-N
MW340.36 g/mol
LogP-0.69
Rot. Bonds2

About 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide

6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide (PubChem CID 138005250) has the molecular formula C13H16N4O5S and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide
PubChem CID138005250
Molecular FormulaC13H16N4O5S
Molecular Weight340.36 g/mol
Exact Mass340.08
IUPAC Name6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide
SMILESCc1ncc(S(N)(=O)=O)cc1C(=O)N1CC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C13H16N4O5S/c1-8-10(3-9(4-15-8)23(14,20)21)11(18)17-6-13(7-17)5-16(2)12(19)22-13/h3-4H,5-7H2,1-2H3,(H2,14,20,21)
InChIKeyZECKTAGLPHQNCT-UHFFFAOYSA-N
XLogP-0.69
TPSA122.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide?
The IUPAC name of 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide (CID 138005250) is 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide is Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CC2(CN(C)C(=O)O2)C1.
What is the InChIKey of 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide?
The InChIKey is ZECKTAGLPHQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5S/c1-8-10(3-9(4-15-8)23(14,20)21)11(18)17-6-13(7-17)5-16(2)12(19)22-13/h3-4H,5-7H2,1-2H3,(H2,14,20,21).
What are the key properties of 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide?
6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide has a molecular weight of 340.36 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide is sourced from PubChem (CID 138005250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).