2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide

C13H21N3O3S — CID 81340557

IUPAC2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H21N3O3S/c1-10-15-12(20(14,17)18)9-16(10)11-4-7-19-13(8-11)5-2-3-6-13/h9,11H,2-8H2,1H3,(H2,14,17,18)
InChIKeyXSDTUFVVUWBCQE-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide

2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide (PubChem CID 81340557) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
PubChem CID81340557
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H21N3O3S/c1-10-15-12(20(14,17)18)9-16(10)11-4-7-19-13(8-11)5-2-3-6-13/h9,11H,2-8H2,1H3,(H2,14,17,18)
InChIKeyXSDTUFVVUWBCQE-UHFFFAOYSA-N
XLogP1.50
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81341137
2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride
CID 79908468
1-(5-oxaspiro[3.5]nonan-8-yl)-2,4-dioxopyrimidine-5-sulfonamide
CID 81337537
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide
CID 114624495
4-bromo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903564
5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole
CID 116618591
4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903866
4-bromo-3-iodo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79907677
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
4-(1-chloroethyl)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazole
CID 79919826
5-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 116811722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide?
The IUPAC name of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide (CID 81340557) is 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide?
The InChIKey is XSDTUFVVUWBCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-15-12(20(14,17)18)9-16(10)11-4-7-19-13(8-11)5-2-3-6-13/h9,11H,2-8H2,1H3,(H2,14,17,18).
What are the key properties of 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide?
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 81340557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).