methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate

C11H19NO4S — CID 115602676

IUPACmethyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C11H19NO4S/c1-16-11(13)9-6-7-12(8-9)17(14,15)10-4-2-3-5-10/h9-10H,2-8H2,1H3
InChIKeyRFRLLICLBHINAK-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.75
Rot. Bonds3

About methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate

methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate (PubChem CID 115602676) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
PubChem CID115602676
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Namemethyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C11H19NO4S/c1-16-11(13)9-6-7-12(8-9)17(14,15)10-4-2-3-5-10/h9-10H,2-8H2,1H3
InChIKeyRFRLLICLBHINAK-UHFFFAOYSA-N
XLogP0.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
methyl 1-piperidin-1-ylsulfonylazepane-3-carboxylate
CID 57416008
methyl (3S)-1-(1,1-dioxothiolan-3-yl)sulfonylpiperidine-3-carboxylate
CID 115536276
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
methyl 1-(2-methylsulfonylethylsulfonyl)pyrrolidine-3-carboxylate
CID 79033119
methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate
CID 104978218
methyl (3S)-1-propan-2-ylsulfonylpiperidine-3-carboxylate
CID 79032500
methyl (3S)-1-(difluoromethylsulfonyl)piperidine-3-carboxylate
CID 79032540
methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
CID 104929271
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-3-carboxylate
CID 103354558
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl 1-tert-butylsulfonylpiperidine-4-carboxylate
CID 62492505

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate (CID 115602676) is methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate is COC(=O)C1CCN(S(=O)(=O)C2CCCC2)C1.
What is the InChIKey of methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate?
The InChIKey is RFRLLICLBHINAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-16-11(13)9-6-7-12(8-9)17(14,15)10-4-2-3-5-10/h9-10H,2-8H2,1H3.
What are the key properties of methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate?
methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate is sourced from PubChem (CID 115602676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).