ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate

C9H17NO4S — CID 6540891

IUPACethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H17NO4S/c1-3-14-9(11)8-5-4-6-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyRERFXHAKRMBYIH-MRVPVSSYSA-N
MW235.30 g/mol
LogP0.22
Rot. Bonds3

About ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate

ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate (PubChem CID 6540891) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate
PubChem CID6540891
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Nameethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H17NO4S/c1-3-14-9(11)8-5-4-6-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyRERFXHAKRMBYIH-MRVPVSSYSA-N
XLogP0.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-1-methylsulfonylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate (CID 6540891) is ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate?
The InChIKey is RERFXHAKRMBYIH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-3-14-9(11)8-5-4-6-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate has a molecular weight of 235.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-methylsulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 6540891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).