6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane

C8H11N3O3S — CID 167321047

IUPAC6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane
SMILESO=S(=O)(N1CC2(COC2)C1)n1ccnc1
InChIInChI=1S/C8H11N3O3S/c12-15(13,10-2-1-9-7-10)11-3-8(4-11)5-14-6-8/h1-2,7H,3-6H2
InChIKeyOIVVTRIENRMHHC-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.69
Rot. Bonds2

About 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane

6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 167321047) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID167321047
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane
SMILESO=S(=O)(N1CC2(COC2)C1)n1ccnc1
InChIInChI=1S/C8H11N3O3S/c12-15(13,10-2-1-9-7-10)11-3-8(4-11)5-14-6-8/h1-2,7H,3-6H2
InChIKeyOIVVTRIENRMHHC-UHFFFAOYSA-N
XLogP-0.69
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazol-1-ylsulfonylpiperidin-4-ol
CID 68916643
tert-butyl 3-imidazol-1-ylsulfonyl-1,3-diazetidine-1-carboxylate
CID 168727145
1-(3,3-difluoroazetidin-1-yl)sulfonylimidazole;1-(3,3-difluoroazetidin-1-yl)sulfonyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
CID 158454189
1-(4-bromophenyl)-4-imidazol-1-ylsulfonylpiperazine
CID 71026744
1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole
CID 86634167
sodium;hydride;imidazole-1-sulfonic acid
CID 174835950
3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine
CID 166747883
6-(2-bromophenyl)sulfonyl-2-oxa-6-azaspiro[3.3]heptane
CID 90313811
N-tert-butylimidazole-1-sulfonamide
CID 174183105
imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane
CID 146659083
5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole
CID 67176956
2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid
CID 150162066

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane (CID 167321047) is 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane is O=S(=O)(N1CC2(COC2)C1)n1ccnc1.
What is the InChIKey of 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is OIVVTRIENRMHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-15(13,10-2-1-9-7-10)11-3-8(4-11)5-14-6-8/h1-2,7H,3-6H2.
What are the key properties of 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane?
6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 229.26 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-ylsulfonyl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 167321047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).