1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one

C13H24N2O4S — CID 131661831

IUPAC1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(S(C)(=O)=O)CC2
InChIInChI=1S/C13H24N2O4S/c1-19-11-10-15-12(16)4-6-13(15)5-3-8-14(9-7-13)20(2,17)18/h3-11H2,1-2H3
InChIKeyRVKGVEXJGVUCBU-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.44
Rot. Bonds4

About 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one

1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131661831) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131661831
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(S(C)(=O)=O)CC2
InChIInChI=1S/C13H24N2O4S/c1-19-11-10-15-12(16)4-6-13(15)5-3-8-14(9-7-13)20(2,17)18/h3-11H2,1-2H3
InChIKeyRVKGVEXJGVUCBU-UHFFFAOYSA-N
XLogP0.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493743
(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484856
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485089
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078829
6-(3-methoxypropyl)-10-methylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068017
1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684521
(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97393906

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one (CID 131661831) is 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one is COCCN1C(=O)CCC12CCCN(S(C)(=O)=O)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is RVKGVEXJGVUCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-19-11-10-15-12(16)4-6-13(15)5-3-8-14(9-7-13)20(2,17)18/h3-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one?
1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 304.41 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131661831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).