(3R)-3-(methylsulfonylmethyl)pyrrolidine

C6H13NO2S — CID 124510073

IUPAC(3R)-3-(methylsulfonylmethyl)pyrrolidine
SMILESCS(=O)(=O)C[C@@H]1CCNC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)5-6-2-3-7-4-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyPBRSYKJTZSFOIQ-ZCFIWIBFSA-N
MW163.24 g/mol
LogP-0.36
Rot. Bonds2

About (3R)-3-(methylsulfonylmethyl)pyrrolidine

(3R)-3-(methylsulfonylmethyl)pyrrolidine (PubChem CID 124510073) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (3R)-3-(methylsulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(methylsulfonylmethyl)pyrrolidine
PubChem CID124510073
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(3R)-3-(methylsulfonylmethyl)pyrrolidine
SMILESCS(=O)(=O)C[C@@H]1CCNC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)5-6-2-3-7-4-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyPBRSYKJTZSFOIQ-ZCFIWIBFSA-N
XLogP-0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
4-(methylsulfonylmethyl)azepane
CID 170910432
ethane;3-ethylpyrrolidine
CID 143803201
4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
CID 158767557
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
2-[(3R)-pyrrolidin-3-yl]ethyl methanesulfonate;hydrochloride
CID 71643128
N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide
CID 130582043
N-cyclopentyl-1-pyrrolidin-3-ylmethanesulfonamide
CID 115039136
3-[(2,4,6-trimethylphenyl)sulfonylmethyl]pyrrolidine
CID 117036538
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylsulfonylmethyl)pyrrolidine?
The IUPAC name of (3R)-3-(methylsulfonylmethyl)pyrrolidine (CID 124510073) is (3R)-3-(methylsulfonylmethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(methylsulfonylmethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(methylsulfonylmethyl)pyrrolidine is CS(=O)(=O)C[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(methylsulfonylmethyl)pyrrolidine?
The InChIKey is PBRSYKJTZSFOIQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)5-6-2-3-7-4-6/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-(methylsulfonylmethyl)pyrrolidine?
(3R)-3-(methylsulfonylmethyl)pyrrolidine has a molecular weight of 163.24 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylsulfonylmethyl)pyrrolidine is sourced from PubChem (CID 124510073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).