8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C11H17N3O3S2 — CID 71806338

IUPAC8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)OCCS3)c1
InChIInChI=1S/C11H17N3O3S2/c1-13-8-10(12-9-13)19(15,16)14-4-2-11(3-5-14)17-6-7-18-11/h8-9H,2-7H2,1H3
InChIKeyMPPAEQHPASPNJZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.66
Rot. Bonds2

About 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 71806338) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID71806338
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)OCCS3)c1
InChIInChI=1S/C11H17N3O3S2/c1-13-8-10(12-9-13)19(15,16)14-4-2-11(3-5-14)17-6-7-18-11/h8-9H,2-7H2,1H3
InChIKeyMPPAEQHPASPNJZ-UHFFFAOYSA-N
XLogP0.66
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-Methylimidazol-4-yl)sulfonyl-1-thia-4-azaspiro[5.5]undecane
CID 71860556
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91907781
4-(2-ethoxyethoxy)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91907796
4-(2-Methoxyethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920555
8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56889940
4-(isobutylsulfonyl)-1-((1-methyl-1H-imidazol-4-yl)sulfonyl)piperidine
CID 76148528
methyl 2-((1-((1-methyl-1H-imidazol-4-yl)sulfonyl)pyrrolidin-3-yl)thio)acetate
CID 86264313
1-((1-isopropyl-1H-imidazol-4-yl)sulfonyl)-4-((1-methyl-1H-imidazol-2-yl)sulfonyl)piperidine
CID 91625066
4-{[1-(butan-2-yl)-1H-imidazol-4-yl]sulfonyl}-2,2-dimethyl-1lambda4-thiomorpholin-1-one
CID 71848896
4-(1-Methyl-4-imidazolesulfonyl)tetrahydro-4H-1,4-thiazine
CID 15100260
8-(1-Methylimidazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 20958617
1-(2-Methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-ol
CID 55030582

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 71806338) is 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is Cn1cnc(S(=O)(=O)N2CCC3(CC2)OCCS3)c1.
What is the InChIKey of 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is MPPAEQHPASPNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-13-8-10(12-9-13)19(15,16)14-4-2-11(3-5-14)17-6-7-18-11/h8-9H,2-7H2,1H3.
What are the key properties of 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 303.41 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 71806338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).