1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide

C12H17N3O5S — CID 81337537

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(C2CCOC3(CCC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5S/c13-21(18,19)9-7-15(11(17)14-10(9)16)8-2-5-20-12(6-8)3-1-4-12/h7-8H,1-6H2,(H2,13,18,19)(H,14,16,17)
InChIKeyNYGYQIGLISNQGX-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.54
Rot. Bonds2

About 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide

1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 81337537) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID81337537
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1cn(C2CCOC3(CCC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5S/c13-21(18,19)9-7-15(11(17)14-10(9)16)8-2-5-20-12(6-8)3-1-4-12/h7-8H,1-6H2,(H2,13,18,19)(H,14,16,17)
InChIKeyNYGYQIGLISNQGX-UHFFFAOYSA-N
XLogP-0.54
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide with MolForge

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
CID 165465012
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81341137
5-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 116811722
4-bromo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903564
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide
CID 79900573
5-iodo-2-(5-oxaspiro[3.5]nonan-8-yl)pyridazin-3-one
CID 114553457
2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride
CID 79908468
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
4-bromo-3-iodo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79907677
4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903866
2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-sulfonamide
CID 133377701
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 115313242

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide (CID 81337537) is 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide is NS(=O)(=O)c1cn(C2CCOC3(CCC3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is NYGYQIGLISNQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c13-21(18,19)9-7-15(11(17)14-10(9)16)8-2-5-20-12(6-8)3-1-4-12/h7-8H,1-6H2,(H2,13,18,19)(H,14,16,17).
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide?
1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 81337537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).