(3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

C13H21N3O4S — CID 97450737

IUPAC(3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1COC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C13H21N3O4S/c1-15-8-12(14-10-15)21(17,18)16-5-3-13(4-6-16)7-11(19-2)9-20-13/h8,10-11H,3-7,9H2,1-2H3/t11-/m1/s1
InChIKeyCPBABBFMGMXVIO-LLVKDONJSA-N
MW315.39 g/mol
LogP0.38
Rot. Bonds3

About (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

(3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97450737) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97450737
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name(3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1COC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C13H21N3O4S/c1-15-8-12(14-10-15)21(17,18)16-5-3-13(4-6-16)7-11(19-2)9-20-13/h8,10-11H,3-7,9H2,1-2H3/t11-/m1/s1
InChIKeyCPBABBFMGMXVIO-LLVKDONJSA-N
XLogP0.38
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5S)-3-ethoxy-9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[4.5]decane
CID 97419673
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 131653681
(3R,5S)-7-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97485844
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
(3R,5R)-N-(3-fluorophenyl)-7-(1-methylimidazol-4-yl)sulfonyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98777943
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161341
3-(1-methylimidazol-4-yl)sulfonyl-8-oxa-3-azaspiro[5.6]dodec-10-ene
CID 155984004
2-(1-methylimidazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718639
1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
CID 131934981

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 97450737) is (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is CO[C@H]1COC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1.
What is the InChIKey of (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is CPBABBFMGMXVIO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15-8-12(14-10-15)21(17,18)16-5-3-13(4-6-16)7-11(19-2)9-20-13/h8,10-11H,3-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 315.39 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-8-(1-methylimidazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97450737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).