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

C12H19N3O3S2 — CID 81341137

IUPAC2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H19N3O3S2/c1-9-14-11(20(13,16)17)7-15(9)10-2-4-18-12(6-10)3-5-19-8-12/h7,10H,2-6,8H2,1H3,(H2,13,16,17)
InChIKeyAWHJXFHXOCVBLW-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.07
Rot. Bonds2

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

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide (PubChem CID 81341137) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
PubChem CID81341137
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H19N3O3S2/c1-9-14-11(20(13,16)17)7-15(9)10-2-4-18-12(6-10)3-5-19-8-12/h7,10H,2-6,8H2,1H3,(H2,13,16,17)
InChIKeyAWHJXFHXOCVBLW-UHFFFAOYSA-N
XLogP1.07
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81340557
2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)imidazole-4-sulfonyl chloride
CID 79908468
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole-4-sulfonyl chloride
CID 79911466
4-iodo-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole
CID 79911649
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
CID 79919128
N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
CID 79922823
N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919706
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole
CID 79920205
methyl 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)triazole-4-carboxylate
CID 103108026
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole
CID 79919153
5-iodo-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridazin-3-one
CID 114553630
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)imidazole-4-sulfonamide
CID 114624495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide?
The IUPAC name of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide (CID 81341137) is 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide?
The InChIKey is AWHJXFHXOCVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-9-14-11(20(13,16)17)7-15(9)10-2-4-18-12(6-10)3-5-19-8-12/h7,10H,2-6,8H2,1H3,(H2,13,16,17).
What are the key properties of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide?
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 81341137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).