(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

C18H28N2O3S — CID 97487642

IUPAC(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(Cc3ccccc3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C18H28N2O3S/c1-23-14-17-12-18(15-20(17)24(2,21)22)8-10-19(11-9-18)13-16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3/t17-/m1/s1
InChIKeyZKRLOERZDCDNPG-QGZVFWFLSA-N
MW352.50 g/mol
LogP1.95
Rot. Bonds5

About (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 97487642) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID97487642
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(Cc3ccccc3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C18H28N2O3S/c1-23-14-17-12-18(15-20(17)24(2,21)22)8-10-19(11-9-18)13-16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3/t17-/m1/s1
InChIKeyZKRLOERZDCDNPG-QGZVFWFLSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155846044
(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97476754
(3R)-3-(methoxymethyl)-2-methyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane
CID 97475640
(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97475664
(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 97476268
cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97474688
8-[(3-fluorophenyl)methyl]-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834191
1-[3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131681938
[3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,2-oxazol-4-yl)methanone
CID 133139434
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
4-benzyl-2-methyl-1-methylsulfonylpiperazine
CID 72691051
(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957

Frequently Asked Questions

What is the IUPAC name of (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 97487642) is (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is COC[C@H]1CC2(CCN(Cc3ccccc3)CC2)CN1S(C)(=O)=O.
What is the InChIKey of (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is ZKRLOERZDCDNPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-23-14-17-12-18(15-20(17)24(2,21)22)8-10-19(11-9-18)13-16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 352.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97487642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).