ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate

C12H22N2O5S — CID 79031630

IUPACethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)N2CC[C@H](O)C2)C1
InChIInChI=1S/C12H22N2O5S/c1-2-19-12(16)10-4-3-6-13(8-10)20(17,18)14-7-5-11(15)9-14/h10-11,15H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyGVYOXYUQXBQTES-DTIOYNMSSA-N
MW306.38 g/mol
LogP-0.43
Rot. Bonds4

About ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate

ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate (PubChem CID 79031630) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
PubChem CID79031630
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Nameethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)N2CC[C@H](O)C2)C1
InChIInChI=1S/C12H22N2O5S/c1-2-19-12(16)10-4-3-6-13(8-10)20(17,18)14-7-5-11(15)9-14/h10-11,15H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyGVYOXYUQXBQTES-DTIOYNMSSA-N
XLogP-0.43
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
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
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 79031701
2-[(3-ethoxycarbonylpiperidin-1-yl)sulfonyl-methylamino]acetic acid
CID 43173165
(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-ol
CID 66291550
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate (CID 79031630) is ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)N2CC[C@H](O)C2)C1.
What is the InChIKey of ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate?
The InChIKey is GVYOXYUQXBQTES-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-2-19-12(16)10-4-3-6-13(8-10)20(17,18)14-7-5-11(15)9-14/h10-11,15H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate?
ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate has a molecular weight of 306.38 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 79031630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).