1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C16H30N2O4S — CID 131638591

IUPAC1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCCS(=O)(=O)CCN1CCC2(CC1)CN(C(C)=O)CC2COC
InChIInChI=1S/C16H30N2O4S/c1-4-23(20,21)10-9-17-7-5-16(6-8-17)13-18(14(2)19)11-15(16)12-22-3/h15H,4-13H2,1-3H3
InChIKeyLUEPGXLTONZSNA-UHFFFAOYSA-N
MW346.49 g/mol
LogP0.63
Rot. Bonds6

About 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 131638591) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID131638591
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Name1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCCS(=O)(=O)CCN1CCC2(CC1)CN(C(C)=O)CC2COC
InChIInChI=1S/C16H30N2O4S/c1-4-23(20,21)10-9-17-7-5-16(6-8-17)13-18(14(2)19)11-15(16)12-22-3/h15H,4-13H2,1-3H3
InChIKeyLUEPGXLTONZSNA-UHFFFAOYSA-N
XLogP0.63
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 131638591) is 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CCS(=O)(=O)CCN1CCC2(CC1)CN(C(C)=O)CC2COC.
What is the InChIKey of 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is LUEPGXLTONZSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-4-23(20,21)10-9-17-7-5-16(6-8-17)13-18(14(2)19)11-15(16)12-22-3/h15H,4-13H2,1-3H3.
What are the key properties of 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 346.49 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-ethylsulfonylethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 131638591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).