ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate

C12H22N2O4S — CID 81318780

IUPACethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C12H22N2O4S/c1-2-18-12(15)11-6-5-9-14(10-11)19(16,17)13-7-3-4-8-13/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyVIVIADOTKGPOQE-LLVKDONJSA-N
MW290.38 g/mol
LogP0.60
Rot. Bonds4

About ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate

ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate (PubChem CID 81318780) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
PubChem CID81318780
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Nameethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C12H22N2O4S/c1-2-18-12(15)11-6-5-9-14(10-11)19(16,17)13-7-3-4-8-13/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyVIVIADOTKGPOQE-LLVKDONJSA-N
XLogP0.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 79031630
ethyl 1-[(3R)-3-methylpiperazin-1-yl]sulfonylpiperidine-3-carboxylate
CID 104975088
ethyl 1-(3-amino-4-methylpyrrolidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 103576447
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957
ethyl (3S)-1-tert-butylsulfonylpiperidine-3-carboxylate
CID 115536187
ethyl (3S)-1-(methylsulfonylmethylsulfonyl)piperidine-3-carboxylate
CID 82843374
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934
2-[(3-ethoxycarbonylpiperidin-1-yl)sulfonyl-methylamino]acetic acid
CID 43173165
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate (CID 81318780) is ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate?
The InChIKey is VIVIADOTKGPOQE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-2-18-12(15)11-6-5-9-14(10-11)19(16,17)13-7-3-4-8-13/h11H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate has a molecular weight of 290.38 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 81318780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).