ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate

C18H26N2O4S — CID 34052695

IUPACethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)C1
InChIInChI=1S/C18H26N2O4S/c1-2-24-18(21)16-10-6-12-19(14-16)25(22,23)20-13-7-11-17(20)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3/t16-,17-/m1/s1
InChIKeyFGYKPVKMJCZIJA-IAGOWNOFSA-N
MW366.48 g/mol
LogP2.34
Rot. Bonds5

About ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate

ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate (PubChem CID 34052695) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
PubChem CID34052695
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nameethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)C1
InChIInChI=1S/C18H26N2O4S/c1-2-24-18(21)16-10-6-12-19(14-16)25(22,23)20-13-7-11-17(20)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3/t16-,17-/m1/s1
InChIKeyFGYKPVKMJCZIJA-IAGOWNOFSA-N
XLogP2.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate (CID 34052695) is ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)C1.
What is the InChIKey of ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate?
The InChIKey is FGYKPVKMJCZIJA-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-2-24-18(21)16-10-6-12-19(14-16)25(22,23)20-13-7-11-17(20)15-8-4-3-5-9-15/h3-5,8-9,16-17H,2,6-7,10-14H2,1H3/t16-,17-/m1/s1.
What are the key properties of ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate has a molecular weight of 366.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 34052695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).