3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide

C11H20N4O4S — CID 16896764

IUPAC3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide
SMILESCCN1C(=O)NC2(CCN(S(=O)(=O)N(C)C)CC2)C1=O
InChIInChI=1S/C11H20N4O4S/c1-4-15-9(16)11(12-10(15)17)5-7-14(8-6-11)20(18,19)13(2)3/h4-8H2,1-3H3,(H,12,17)
InChIKeyIBSWFTTWTDZFOV-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.80
Rot. Bonds3

About 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide

3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide (PubChem CID 16896764) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide
PubChem CID16896764
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide
SMILESCCN1C(=O)NC2(CCN(S(=O)(=O)N(C)C)CC2)C1=O
InChIInChI=1S/C11H20N4O4S/c1-4-15-9(16)11(12-10(15)17)5-7-14(8-6-11)20(18,19)13(2)3/h4-8H2,1-3H3,(H,12,17)
InChIKeyIBSWFTTWTDZFOV-UHFFFAOYSA-N
XLogP-0.80
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
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 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide?
The IUPAC name of 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide (CID 16896764) is 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide.
What is the SMILES notation for 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide?
The canonical SMILES for 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide is CCN1C(=O)NC2(CCN(S(=O)(=O)N(C)C)CC2)C1=O.
What is the InChIKey of 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide?
The InChIKey is IBSWFTTWTDZFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-4-15-9(16)11(12-10(15)17)5-7-14(8-6-11)20(18,19)13(2)3/h4-8H2,1-3H3,(H,12,17).
What are the key properties of 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide?
3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide is sourced from PubChem (CID 16896764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).