ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate

C14H26N2O4S — CID 81308957

IUPACethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2C)C1
InChIInChI=1S/C14H26N2O4S/c1-3-20-14(17)13-8-6-9-15(11-13)21(18,19)16-10-5-4-7-12(16)2/h12-13H,3-11H2,1-2H3/t12?,13-/m1/s1
InChIKeyVNTOVZYXEOOLHQ-ZGTCLIOFSA-N
MW318.44 g/mol
LogP1.38
Rot. Bonds4

About ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate

ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate (PubChem CID 81308957) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
PubChem CID81308957
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Nameethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2C)C1
InChIInChI=1S/C14H26N2O4S/c1-3-20-14(17)13-8-6-9-15(11-13)21(18,19)16-10-5-4-7-12(16)2/h12-13H,3-11H2,1-2H3/t12?,13-/m1/s1
InChIKeyVNTOVZYXEOOLHQ-ZGTCLIOFSA-N
XLogP1.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-1-(2-methylpiperidin-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-[(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-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 34052695
ethyl (3S)-1-tert-butylsulfonylpiperidine-3-carboxylate
CID 115536187
ethyl (3S)-1-(methylsulfonylmethylsulfonyl)piperidine-3-carboxylate
CID 82843374
ethyl 1-(3-aminopiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 43605490
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
ethyl 1-[3-(hydroxymethyl)piperidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 43589603
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate (CID 81308957) is ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2C)C1.
What is the InChIKey of ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate?
The InChIKey is VNTOVZYXEOOLHQ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-20-14(17)13-8-6-9-15(11-13)21(18,19)16-10-5-4-7-12(16)2/h12-13H,3-11H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate has a molecular weight of 318.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 81308957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).