5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane

C18H29N3O3S — CID 131671777

IUPAC5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane
SMILESCCCS(=O)(=O)N1CC2(CC(COCc3ccccn3)CCN2C)C1
InChIInChI=1S/C18H29N3O3S/c1-3-10-25(22,23)21-14-18(15-21)11-16(7-9-20(18)2)12-24-13-17-6-4-5-8-19-17/h4-6,8,16H,3,7,9-15H2,1-2H3
InChIKeyRHIGCWSYNQPVKO-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.73
Rot. Bonds7

About 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane

5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane (PubChem CID 131671777) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane
PubChem CID131671777
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane
SMILESCCCS(=O)(=O)N1CC2(CC(COCc3ccccn3)CCN2C)C1
InChIInChI=1S/C18H29N3O3S/c1-3-10-25(22,23)21-14-18(15-21)11-16(7-9-20(18)2)12-24-13-17-6-4-5-8-19-17/h4-6,8,16H,3,7,9-15H2,1-2H3
InChIKeyRHIGCWSYNQPVKO-UHFFFAOYSA-N
XLogP1.73
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 124821477
8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane
CID 131669233
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 131669217
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 131671768
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-3-ylmethanone
CID 131669215
2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155832108
8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane
CID 131677748
(8R)-2-ethylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124895164
2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677753
8-(methoxymethyl)-5-methyl-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171693362
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane (CID 131671777) is 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane is CCCS(=O)(=O)N1CC2(CC(COCc3ccccn3)CCN2C)C1.
What is the InChIKey of 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane?
The InChIKey is RHIGCWSYNQPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-3-10-25(22,23)21-14-18(15-21)11-16(7-9-20(18)2)12-24-13-17-6-4-5-8-19-17/h4-6,8,16H,3,7,9-15H2,1-2H3.
What are the key properties of 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane?
5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane has a molecular weight of 367.52 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 131671777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).