(2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine

C11H23NO3S — CID 174183276

IUPAC(2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine
SMILESCC(C)(C)O[C@H](CS(C)(=O)=O)[C@@H]1CCCN1
InChIInChI=1S/C11H23NO3S/c1-11(2,3)15-10(8-16(4,13)14)9-6-5-7-12-9/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyQISOHKKMNYEYFL-VHSXEESVSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds4

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

(2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine (PubChem CID 174183276) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine
PubChem CID174183276
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine
SMILESCC(C)(C)O[C@H](CS(C)(=O)=O)[C@@H]1CCCN1
InChIInChI=1S/C11H23NO3S/c1-11(2,3)15-10(8-16(4,13)14)9-6-5-7-12-9/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyQISOHKKMNYEYFL-VHSXEESVSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 164661994
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
CID 86330307
(2S)-2-(dimethoxymethyl)pyrrolidine
CID 11658393
2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine
CID 174103186
2-(3,4,4-trimethylpentan-2-yl)pyrrolidine
CID 135277685
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64641695
tert-butyl (2S)-2-[[2-hydroxy-2-[(2S)-pyrrolidin-2-yl]acetyl]amino]-4-methylpentanoate
CID 10757659
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine?
The IUPAC name of (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine (CID 174183276) is (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine is CC(C)(C)O[C@H](CS(C)(=O)=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine?
The InChIKey is QISOHKKMNYEYFL-VHSXEESVSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,3)15-10(8-16(4,13)14)9-6-5-7-12-9/h9-10,12H,5-8H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine?
(2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylethyl]pyrrolidine is sourced from PubChem (CID 174183276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).