4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine

C10H21NO4S — CID 118333607

IUPAC4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine
SMILESCC(C)(C)OCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H21NO4S/c1-10(2,3)15-8-9-16(12,13)11-4-6-14-7-5-11/h4-9H2,1-3H3
InChIKeyWDYUPDFKCDCLKK-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.46
Rot. Bonds4

About 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine

4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine (PubChem CID 118333607) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine
PubChem CID118333607
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine
SMILESCC(C)(C)OCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H21NO4S/c1-10(2,3)15-8-9-16(12,13)11-4-6-14-7-5-11/h4-9H2,1-3H3
InChIKeyWDYUPDFKCDCLKK-UHFFFAOYSA-N
XLogP0.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine (CID 118333607) is 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine is CC(C)(C)OCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine?
The InChIKey is WDYUPDFKCDCLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-10(2,3)15-8-9-16(12,13)11-4-6-14-7-5-11/h4-9H2,1-3H3.
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine?
4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine has a molecular weight of 251.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine is sourced from PubChem (CID 118333607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).