2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane

C17H27N3O3S — CID 131652945

IUPAC2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCC1CCC2(CCN(Cc3ccccn3)CC2)N1S(C)(=O)=O
InChIInChI=1S/C17H27N3O3S/c1-23-14-16-6-7-17(20(16)24(2,21)22)8-11-19(12-9-17)13-15-5-3-4-10-18-15/h3-5,10,16H,6-9,11-14H2,1-2H3
InChIKeyUOEISLPMHXYLIV-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.49
Rot. Bonds5

About 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane

2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 131652945) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane
PubChem CID131652945
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCC1CCC2(CCN(Cc3ccccn3)CC2)N1S(C)(=O)=O
InChIInChI=1S/C17H27N3O3S/c1-23-14-16-6-7-17(20(16)24(2,21)22)8-11-19(12-9-17)13-15-5-3-4-10-18-15/h3-5,10,16H,6-9,11-14H2,1-2H3
InChIKeyUOEISLPMHXYLIV-UHFFFAOYSA-N
XLogP1.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97476438
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118747096
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549
3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131649184
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383983
2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131676762
8-cyclopropylsulfonyl-4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171692801
1-[1-(cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-2-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 155830102
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane (CID 131652945) is 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane is COCC1CCC2(CCN(Cc3ccccn3)CC2)N1S(C)(=O)=O.
What is the InChIKey of 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is UOEISLPMHXYLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-23-14-16-6-7-17(20(16)24(2,21)22)8-11-19(12-9-17)13-15-5-3-4-10-18-15/h3-5,10,16H,6-9,11-14H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane?
2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 353.49 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131652945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).