1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine

C10H21NO3S — CID 118333601

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine
SMILESCC(C)(C)OCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)14-8-9-15(12,13)11-6-4-5-7-11/h4-9H2,1-3H3
InChIKeyYOZZOMPVHVYBRO-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.23
Rot. Bonds4

About 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine

1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine (PubChem CID 118333601) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine
PubChem CID118333601
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine
SMILESCC(C)(C)OCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)14-8-9-15(12,13)11-6-4-5-7-11/h4-9H2,1-3H3
InChIKeyYOZZOMPVHVYBRO-UHFFFAOYSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine (CID 118333601) is 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine is CC(C)(C)OCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine?
The InChIKey is YOZZOMPVHVYBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)14-8-9-15(12,13)11-6-4-5-7-11/h4-9H2,1-3H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine?
1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]pyrrolidine is sourced from PubChem (CID 118333601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).