methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate

C8H12N4O6S — CID 114464555

IUPACmethyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C8H12N4O6S/c1-18-7(15)11-19(16,17)12-3-2-8(4-12)5(13)9-6(14)10-8/h2-4H2,1H3,(H,11,15)(H2,9,10,13,14)
InChIKeyLFUAGQXYNDWMJK-UHFFFAOYSA-N
MW292.27 g/mol
LogP-2.13
Rot. Bonds2

About methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate

methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate (PubChem CID 114464555) has the molecular formula C8H12N4O6S and a molecular weight of 292.27 g/mol. Its IUPAC name is methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate
PubChem CID114464555
Molecular FormulaC8H12N4O6S
Molecular Weight292.27 g/mol
Exact Mass292.05
IUPAC Namemethyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C8H12N4O6S/c1-18-7(15)11-19(16,17)12-3-2-8(4-12)5(13)9-6(14)10-8/h2-4H2,1H3,(H,11,15)(H2,9,10,13,14)
InChIKeyLFUAGQXYNDWMJK-UHFFFAOYSA-N
XLogP-2.13
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate with MolForge

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Related Compounds

N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
CID 114815935
7-(bromomethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 83085989
1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
7-(3-methylbutylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996268
2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide
CID 112573865
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996250
7-(2-methylsulfonylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 112692300
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 113374783
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
7-(5-chlorothiophen-2-yl)sulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996269

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate?
The IUPAC name of methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate (CID 114464555) is methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate.
What is the SMILES notation for methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate?
The canonical SMILES for methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate is COC(=O)NS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate?
The InChIKey is LFUAGQXYNDWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O6S/c1-18-7(15)11-19(16,17)12-3-2-8(4-12)5(13)9-6(14)10-8/h2-4H2,1H3,(H,11,15)(H2,9,10,13,14).
What are the key properties of methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate?
methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate has a molecular weight of 292.27 g/mol, XLogP of -2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate is sourced from PubChem (CID 114464555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).