3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine

C9H19NO3S — CID 21061562

IUPAC3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine
SMILESCC(C)(C)OC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)13-8-5-6-10(7-8)14(4,11)12/h8H,5-7H2,1-4H3
InChIKeyDOKZOBALAQMBAI-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine

3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine (PubChem CID 21061562) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine
PubChem CID21061562
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine
SMILESCC(C)(C)OC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)13-8-5-6-10(7-8)14(4,11)12/h8H,5-7H2,1-4H3
InChIKeyDOKZOBALAQMBAI-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-Methylpropoxy)pyrrolidin-1-yl]ethanesulfonamide
CID 71852476
2-Ethyl-3-methylsulfonyl-5-methyl oxazolidine
CID 20324732
1-Methylsulfonyl-3-propan-2-yloxypyrrolidine
CID 58139945
3-Methoxy-1-methylsulfonylpyrrolidine
CID 59625923
3-Methoxy-4-methyl-1-methylsulfonylpyrrolidine
CID 68350327
N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide
CID 88980768
N-ethyl-N-(2-propan-2-yloxypropyl)methanesulfonamide
CID 88991605
N-ethyl-N-(2-methyl-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991610
N-methyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide
CID 89901684
N-methyl-N-(2-methyl-2-propan-2-yloxypropyl)methanesulfonamide
CID 89901723
(3R,4R)-3-methoxy-4-methyl-1-methylsulfonylpyrrolidine
CID 117883384
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine (CID 21061562) is 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine is CC(C)(C)OC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine?
The InChIKey is DOKZOBALAQMBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)13-8-5-6-10(7-8)14(4,11)12/h8H,5-7H2,1-4H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine?
3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 21061562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).