7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

C16H23N3O4S — CID 86286966

IUPAC7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(S(=O)(=O)c3cccnc3)C2)C1=O
InChIInChI=1S/C16H23N3O4S/c1-23-11-10-18-8-3-5-16(15(18)20)6-9-19(13-16)24(21,22)14-4-2-7-17-12-14/h2,4,7,12H,3,5-6,8-11,13H2,1H3
InChIKeyYEFVFSLRJMKDIV-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.73
Rot. Bonds5

About 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 86286966) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID86286966
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(S(=O)(=O)c3cccnc3)C2)C1=O
InChIInChI=1S/C16H23N3O4S/c1-23-11-10-18-8-3-5-16(15(18)20)6-9-19(13-16)24(21,22)14-4-2-7-17-12-14/h2,4,7,12H,3,5-6,8-11,13H2,1H3
InChIKeyYEFVFSLRJMKDIV-UHFFFAOYSA-N
XLogP0.73
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97138313
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72939411
2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135240
(5R)-7-(2-methoxyethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97109798
3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131648490
2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907338
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 86286966) is 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(S(=O)(=O)c3cccnc3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YEFVFSLRJMKDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-23-11-10-18-8-3-5-16(15(18)20)6-9-19(13-16)24(21,22)14-4-2-7-17-12-14/h2,4,7,12H,3,5-6,8-11,13H2,1H3.
What are the key properties of 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 353.44 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 86286966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).