(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

C17H28N2O4S — CID 97476754

IUPAC(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-14-4-5-16(23-14)11-18-8-6-17(7-9-18)10-15(12-22-2)19(13-17)24(3,20)21/h4-5,15H,6-13H2,1-3H3/t15-/m1/s1
InChIKeyYQJZVZMSPJYRLX-OAHLLOKOSA-N
MW356.49 g/mol
LogP1.85
Rot. Bonds5

About (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 97476754) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID97476754
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-14-4-5-16(23-14)11-18-8-6-17(7-9-18)10-15(12-22-2)19(13-17)24(3,20)21/h4-5,15H,6-13H2,1-3H3/t15-/m1/s1
InChIKeyYQJZVZMSPJYRLX-OAHLLOKOSA-N
XLogP1.85
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97487642
8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155846044
3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171695629
(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97475664
cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97474688
(5S)-5-(methoxymethyl)-9-[(5-methylfuran-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97418481
3-methoxy-8-[(5-methylfuran-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155855672
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183067
(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 97476268
1-[3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131681938
8-(furan-2-ylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746867

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 97476754) is (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is COC[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)CN1S(C)(=O)=O.
What is the InChIKey of (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is YQJZVZMSPJYRLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-14-4-5-16(23-14)11-18-8-6-17(7-9-18)10-15(12-22-2)19(13-17)24(3,20)21/h4-5,15H,6-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 356.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97476754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).