1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide

C13H20N4O3S — CID 97397403

IUPAC1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC3(CCC(=O)N3)CC2)c1
InChIInChI=1S/C13H20N4O3S/c1-17-8-12(14-9-17)21(19,20)16-10-2-5-13(6-3-10)7-4-11(18)15-13/h8-10,16H,2-7H2,1H3,(H,15,18)
InChIKeyOQNBFUVIXKBEJJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.29
Rot. Bonds3

About 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide

1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide (PubChem CID 97397403) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide
PubChem CID97397403
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC3(CCC(=O)N3)CC2)c1
InChIInChI=1S/C13H20N4O3S/c1-17-8-12(14-9-17)21(19,20)16-10-2-5-13(6-3-10)7-4-11(18)15-13/h8-10,16H,2-7H2,1H3,(H,15,18)
InChIKeyOQNBFUVIXKBEJJ-UHFFFAOYSA-N
XLogP0.29
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide (CID 97397403) is 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCC3(CCC(=O)N3)CC2)c1.
What is the InChIKey of 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide?
The InChIKey is OQNBFUVIXKBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-17-8-12(14-9-17)21(19,20)16-10-2-5-13(6-3-10)7-4-11(18)15-13/h8-10,16H,2-7H2,1H3,(H,15,18).
What are the key properties of 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide?
1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-oxo-1-azaspiro[4.5]decan-8-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 97397403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).