1-methylsulfonyl-3-propan-2-yloxypyrrolidine

C8H17NO3S — CID 58139945

IUPAC1-methylsulfonyl-3-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)12-8-4-5-9(6-8)13(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyUBOVIGIEWFMXQI-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds3

About 1-methylsulfonyl-3-propan-2-yloxypyrrolidine

1-methylsulfonyl-3-propan-2-yloxypyrrolidine (PubChem CID 58139945) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-methylsulfonyl-3-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-propan-2-yloxypyrrolidine
PubChem CID58139945
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-methylsulfonyl-3-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)12-8-4-5-9(6-8)13(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyUBOVIGIEWFMXQI-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-3-propan-2-yloxyazetidine
CID 121261769
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725414
ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
CID 155736359
1-propan-2-yl-3-propan-2-yloxypyrrolidine
CID 66606030
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
4-methylsulfanyloxy-1-methylsulfonylpiperidine
CID 123304187
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
CID 72663039

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-propan-2-yloxypyrrolidine?
The IUPAC name of 1-methylsulfonyl-3-propan-2-yloxypyrrolidine (CID 58139945) is 1-methylsulfonyl-3-propan-2-yloxypyrrolidine.
What is the SMILES notation for 1-methylsulfonyl-3-propan-2-yloxypyrrolidine?
The canonical SMILES for 1-methylsulfonyl-3-propan-2-yloxypyrrolidine is CC(C)OC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-3-propan-2-yloxypyrrolidine?
The InChIKey is UBOVIGIEWFMXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)12-8-4-5-9(6-8)13(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methylsulfonyl-3-propan-2-yloxypyrrolidine?
1-methylsulfonyl-3-propan-2-yloxypyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-propan-2-yloxypyrrolidine is sourced from PubChem (CID 58139945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).