(3R)-3-methoxy-1-methylsulfonylpyrrolidine

C6H13NO3S — CID 121246941

IUPAC(3R)-3-methoxy-1-methylsulfonylpyrrolidine
SMILESCO[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO3S/c1-10-6-3-4-7(5-6)11(2,8)9/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyKOWCOWGPXITSIU-ZCFIWIBFSA-N
MW179.24 g/mol
LogP-0.33
Rot. Bonds2

About (3R)-3-methoxy-1-methylsulfonylpyrrolidine

(3R)-3-methoxy-1-methylsulfonylpyrrolidine (PubChem CID 121246941) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (3R)-3-methoxy-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-methoxy-1-methylsulfonylpyrrolidine
PubChem CID121246941
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(3R)-3-methoxy-1-methylsulfonylpyrrolidine
SMILESCO[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO3S/c1-10-6-3-4-7(5-6)11(2,8)9/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyKOWCOWGPXITSIU-ZCFIWIBFSA-N
XLogP-0.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-3-propan-2-yloxypyrrolidine
CID 58139945
4-methoxypiperidine-1-sulfonyl chloride
CID 22276816
2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
CID 103531325
3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
CID 103532634
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
4-methylsulfanyloxy-1-methylsulfonylpiperidine
CID 123304187
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
CID 154738268
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-1-methylsulfonylpyrrolidine?
The IUPAC name of (3R)-3-methoxy-1-methylsulfonylpyrrolidine (CID 121246941) is (3R)-3-methoxy-1-methylsulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-methoxy-1-methylsulfonylpyrrolidine?
The canonical SMILES for (3R)-3-methoxy-1-methylsulfonylpyrrolidine is CO[C@@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-3-methoxy-1-methylsulfonylpyrrolidine?
The InChIKey is KOWCOWGPXITSIU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-10-6-3-4-7(5-6)11(2,8)9/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-3-methoxy-1-methylsulfonylpyrrolidine?
(3R)-3-methoxy-1-methylsulfonylpyrrolidine has a molecular weight of 179.24 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 121246941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).