methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate

C8H15NO4S — CID 99995918

IUPACmethyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](C)N1S(C)(=O)=O
InChIInChI=1S/C8H15NO4S/c1-6-4-5-7(8(10)13-2)9(6)14(3,11)12/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyKWSZWUYVQVLLQX-RNFRBKRXSA-N
MW221.28 g/mol
LogP-0.03
Rot. Bonds2

About methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate

methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate (PubChem CID 99995918) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate
PubChem CID99995918
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Namemethyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](C)N1S(C)(=O)=O
InChIInChI=1S/C8H15NO4S/c1-6-4-5-7(8(10)13-2)9(6)14(3,11)12/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyKWSZWUYVQVLLQX-RNFRBKRXSA-N
XLogP-0.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-methylsulfonylpiperidine-2-carboxylic acid
CID 130693813
methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate
CID 167396219
methyl (2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylate
CID 89393988
methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate
CID 3613892
methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate
CID 135212734
methyl 1-(2-methylsulfonylethyl)azetidine-2-carboxylate
CID 112581234
methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161675
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423409
methyl 1-methoxyazetidine-2-carboxylate
CID 559283
methyl (2S)-4-(cyclopentanecarbonyl)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161585

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate (CID 99995918) is methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate is COC(=O)[C@H]1CC[C@@H](C)N1S(C)(=O)=O.
What is the InChIKey of methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate?
The InChIKey is KWSZWUYVQVLLQX-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-6-4-5-7(8(10)13-2)9(6)14(3,11)12/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate?
methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate has a molecular weight of 221.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 99995918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).