N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide

C9H16N4O5S — CID 114815935

IUPACN-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H16N4O5S/c1-18-5-3-10-19(16,17)13-4-2-9(6-13)7(14)11-8(15)12-9/h10H,2-6H2,1H3,(H2,11,12,14,15)
InChIKeyVXHGNVOGHRPLIG-UHFFFAOYSA-N
MW292.32 g/mol
LogP-2.25
Rot. Bonds5

About N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide

N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide (PubChem CID 114815935) has the molecular formula C9H16N4O5S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
PubChem CID114815935
Molecular FormulaC9H16N4O5S
Molecular Weight292.32 g/mol
Exact Mass292.08
IUPAC NameN-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H16N4O5S/c1-18-5-3-10-19(16,17)13-4-2-9(6-13)7(14)11-8(15)12-9/h10H,2-6H2,1H3,(H2,11,12,14,15)
InChIKeyVXHGNVOGHRPLIG-UHFFFAOYSA-N
XLogP-2.25
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(bromomethylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 83085989
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
8-(chloromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 55246021
2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-sulfonamide
CID 112573865
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996250
3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
CID 114816760
8-(2-chloroethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 107651136
3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 114814574
N-(2-methoxyethyl)-2,2-dimethyl-3,5-dioxopiperazine-1-sulfonamide
CID 114815928
7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 113239192

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide (CID 114815935) is N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide is COCCNS(=O)(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide?
The InChIKey is VXHGNVOGHRPLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5S/c1-18-5-3-10-19(16,17)13-4-2-9(6-13)7(14)11-8(15)12-9/h10H,2-6H2,1H3,(H2,11,12,14,15).
What are the key properties of N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide?
N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of -2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide is sourced from PubChem (CID 114815935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).