methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate

C10H19NO4S — CID 79833648

IUPACmethyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCS(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-15-10(12)9-5-3-4-6-11(9)7-8-16(2,13)14/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyGWFSFWVOTIFOBI-SECBINFHSA-N
MW249.33 g/mol
LogP0.06
Rot. Bonds4

About methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate

methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate (PubChem CID 79833648) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
PubChem CID79833648
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCS(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-15-10(12)9-5-3-4-6-11(9)7-8-16(2,13)14/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyGWFSFWVOTIFOBI-SECBINFHSA-N
XLogP0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-methylsulfonylethyl)azetidine-2-carboxylate
CID 112581234
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
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methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
CID 84590044
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate
CID 112581200
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate (CID 79833648) is methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CCS(C)(=O)=O.
What is the InChIKey of methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate?
The InChIKey is GWFSFWVOTIFOBI-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-15-10(12)9-5-3-4-6-11(9)7-8-16(2,13)14/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate?
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate has a molecular weight of 249.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate is sourced from PubChem (CID 79833648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).