N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide

C11H17N3O5S — CID 106338301

IUPACN-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C11H17N3O5S/c1-20(18,19)12-6-3-7-14-9(16)11(4-2-5-11)8(15)13-10(14)17/h12H,2-7H2,1H3,(H,13,15,17)
InChIKeyXYRIVSMYWCNQKL-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.83
Rot. Bonds5

About N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide

N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide (PubChem CID 106338301) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
PubChem CID106338301
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC NameN-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C11H17N3O5S/c1-20(18,19)12-6-3-7-14-9(16)11(4-2-5-11)8(15)13-10(14)17/h12H,2-7H2,1H3,(H,13,15,17)
InChIKeyXYRIVSMYWCNQKL-UHFFFAOYSA-N
XLogP-0.83
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide
CID 106338299
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
1,1-dimethyl-3-[2-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)ethyl]urea
CID 115949102
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
7-(3-methylsulfanylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600864
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598522
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598571
9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide (CID 106338301) is N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCN1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide?
The InChIKey is XYRIVSMYWCNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-20(18,19)12-6-3-7-14-9(16)11(4-2-5-11)8(15)13-10(14)17/h12H,2-7H2,1H3,(H,13,15,17).
What are the key properties of N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide?
N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide is sourced from PubChem (CID 106338301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).