methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate

C11H21NO2S — CID 103737090

IUPACmethyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCCSC
InChIInChI=1S/C11H21NO2S/c1-14-11(13)10-6-3-4-7-12(10)8-5-9-15-2/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyZONKCIZIYSVEIB-SNVBAGLBSA-N
MW231.36 g/mol
LogP1.77
Rot. Bonds5

About methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate

methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate (PubChem CID 103737090) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
PubChem CID103737090
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namemethyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCCSC
InChIInChI=1S/C11H21NO2S/c1-14-11(13)10-6-3-4-7-12(10)8-5-9-15-2/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyZONKCIZIYSVEIB-SNVBAGLBSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
1-(3-methylsulfanylpropyl)pyrrolidine-2-carboxylic acid
CID 65056170
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate
CID 104891377
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
CID 54569237
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate (CID 103737090) is methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CCCSC.
What is the InChIKey of methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate?
The InChIKey is ZONKCIZIYSVEIB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-14-11(13)10-6-3-4-7-12(10)8-5-9-15-2/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate?
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate has a molecular weight of 231.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate is sourced from PubChem (CID 103737090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).