N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide

C8H14N4O4S — CID 78996270

IUPACN,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C8H14N4O4S/c1-11(2)17(15,16)12-4-3-8(5-12)6(13)9-7(14)10-8/h3-5H2,1-2H3,(H2,9,10,13,14)
InChIKeySKGIUYVFKSBIOL-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.92
Rot. Bonds2

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

N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide (PubChem CID 78996270) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
PubChem CID78996270
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC NameN,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C8H14N4O4S/c1-11(2)17(15,16)12-4-3-8(5-12)6(13)9-7(14)10-8/h3-5H2,1-2H3,(H2,9,10,13,14)
InChIKeySKGIUYVFKSBIOL-UHFFFAOYSA-N
XLogP-1.92
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide?
The IUPAC name of N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide (CID 78996270) is N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide?
The canonical SMILES for N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide is CN(C)S(=O)(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide?
The InChIKey is SKGIUYVFKSBIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-11(2)17(15,16)12-4-3-8(5-12)6(13)9-7(14)10-8/h3-5H2,1-2H3,(H2,9,10,13,14).
What are the key properties of N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide?
N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide has a molecular weight of 262.29 g/mol, XLogP of -1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide is sourced from PubChem (CID 78996270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).