2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

C19H28N2O5S — CID 131679450

IUPAC2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCOCCN1CC2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O
InChIInChI=1S/C19H28N2O5S/c1-25-9-8-21-14-19(11-18(21)22)13-20(7-10-26-15-19)12-16-3-5-17(6-4-16)27(2,23)24/h3-6H,7-15H2,1-2H3
InChIKeyYTXVUJSLKQIPNW-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.79
Rot. Bonds6

About 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (PubChem CID 131679450) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
PubChem CID131679450
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCOCCN1CC2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O
InChIInChI=1S/C19H28N2O5S/c1-25-9-8-21-14-19(11-18(21)22)13-20(7-10-26-15-19)12-16-3-5-17(6-4-16)27(2,23)24/h3-6H,7-15H2,1-2H3
InChIKeyYTXVUJSLKQIPNW-UHFFFAOYSA-N
XLogP0.79
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679057
10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681265
10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679011
(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384827
2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678981
2-(2-methoxyethyl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131647411
(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124983073
10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155832619
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681594
2-benzyl-10-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679025
4-[[(6R)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzamide
CID 97141995

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (CID 131679450) is 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is COCCN1CC2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The InChIKey is YTXVUJSLKQIPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-25-9-8-21-14-19(11-18(21)22)13-20(7-10-26-15-19)12-16-3-5-17(6-4-16)27(2,23)24/h3-6H,7-15H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one has a molecular weight of 396.51 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131679450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).