methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate

C10H19NO4S — CID 135212734

IUPACmethyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(S(=O)(=O)C(C)C)N1C
InChIInChI=1S/C10H19NO4S/c1-7(2)16(13,14)9-6-5-8(11(9)3)10(12)15-4/h7-9H,5-6H2,1-4H3
InChIKeyNKNQAQMSPQMELK-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.40
Rot. Bonds3

About methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate

methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate (PubChem CID 135212734) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate
PubChem CID135212734
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(S(=O)(=O)C(C)C)N1C
InChIInChI=1S/C10H19NO4S/c1-7(2)16(13,14)9-6-5-8(11(9)3)10(12)15-4/h7-9H,5-6H2,1-4H3
InChIKeyNKNQAQMSPQMELK-UHFFFAOYSA-N
XLogP0.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate
CID 176934666
methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate
CID 167396219
methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate
CID 99995918
methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
CID 112632626
methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
CID 114816360
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl 1-(2-methylsulfonylethyl)azetidine-2-carboxylate
CID 112581234
methyl 5,7-dioxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate
CID 162681171
2-methoxycarbonyl-4-oxoazetidine-1-sulfonic acid
CID 21245024
methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 163378837
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate
CID 112581200

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate (CID 135212734) is methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate is COC(=O)C1CCC(S(=O)(=O)C(C)C)N1C.
What is the InChIKey of methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
The InChIKey is NKNQAQMSPQMELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(2)16(13,14)9-6-5-8(11(9)3)10(12)15-4/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate?
methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate has a molecular weight of 249.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-propan-2-ylsulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 135212734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).