N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide

C10H15N3O5S — CID 106338299

IUPACN-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C10H15N3O5S/c1-19(17,18)11-5-2-6-13-8(15)10(3-4-10)7(14)12-9(13)16/h11H,2-6H2,1H3,(H,12,14,16)
InChIKeyNNFNQKGXNMSAAT-UHFFFAOYSA-N
MW289.31 g/mol
LogP-1.22
Rot. Bonds5

About N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide

N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide (PubChem CID 106338299) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide
PubChem CID106338299
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC NameN-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C10H15N3O5S/c1-19(17,18)11-5-2-6-13-8(15)10(3-4-10)7(14)12-9(13)16/h11H,2-6H2,1H3,(H,12,14,16)
InChIKeyNNFNQKGXNMSAAT-UHFFFAOYSA-N
XLogP-1.22
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.22
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'}

Analyze N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
CID 106338301
7-(3-methylsulfanylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600864
7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598522
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614
7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598571
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
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
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
CID 115949105

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide (CID 106338299) is N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCN1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide?
The InChIKey is NNFNQKGXNMSAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-19(17,18)11-5-2-6-13-8(15)10(3-4-10)7(14)12-9(13)16/h11H,2-6H2,1H3,(H,12,14,16).
What are the key properties of N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide?
N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide has a molecular weight of 289.31 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide is sourced from PubChem (CID 106338299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).