(3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine

C8H17NO3S — CID 121262110

IUPAC(3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@@H]1CCN(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/t8-/m1/s1
InChIKeyUBOVIGIEWFMXQI-MRVPVSSYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds3

About (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine

(3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine (PubChem CID 121262110) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name(3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine
PubChem CID121262110
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine
SMILESCC(C)O[C@@H]1CCN(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/t8-/m1/s1
InChIKeyUBOVIGIEWFMXQI-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine?
The IUPAC name of (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine (CID 121262110) is (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine.
What is the SMILES notation for (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine?
The canonical SMILES for (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine is CC(C)O[C@@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine?
The InChIKey is UBOVIGIEWFMXQI-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine?
(3R)-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 (3R)-1-methylsulfonyl-3-propan-2-yloxypyrrolidine is sourced from PubChem (CID 121262110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).