(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane

C17H25NO4S — CID 97473995

IUPAC(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)CO1
InChIInChI=1S/C17H25NO4S/c1-14-4-3-5-16(10-14)23(19,20)18-8-6-17(7-9-18)11-15(12-21-2)22-13-17/h3-5,10,15H,6-9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyKNGJKVFMXSOHJS-OAHLLOKOSA-N
MW339.46 g/mol
LogP2.20
Rot. Bonds4

About (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane

(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97473995) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID97473995
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)CO1
InChIInChI=1S/C17H25NO4S/c1-14-4-3-5-16(10-14)23(19,20)18-8-6-17(7-9-18)11-15(12-21-2)22-13-17/h3-5,10,15H,6-9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyKNGJKVFMXSOHJS-OAHLLOKOSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 97482562
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
CID 131660419
1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
CID 97485383
8-(benzenesulfonyl)-3-[(3-methylpiperidin-1-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 131678624
1-[[8-(benzenesulfonyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrrolidin-3-ol
CID 131678633
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 97418031
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418003

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane (CID 97473995) is (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane is COC[C@H]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)CO1.
What is the InChIKey of (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is KNGJKVFMXSOHJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-14-4-3-5-16(10-14)23(19,20)18-8-6-17(7-9-18)11-15(12-21-2)22-13-17/h3-5,10,15H,6-9,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane?
(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 339.46 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97473995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).