ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate

C9H17NO2S — CID 167030701

IUPACethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC(SC)CN1
InChIInChI=1S/C9H17NO2S/c1-3-12-9(11)8-5-4-7(13-2)6-10-8/h7-8,10H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyJWIOTGMFDITXJY-BRFYHDHCSA-N
MW203.31 g/mol
LogP1.03
Rot. Bonds3

About ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate

ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate (PubChem CID 167030701) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate
PubChem CID167030701
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nameethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC(SC)CN1
InChIInChI=1S/C9H17NO2S/c1-3-12-9(11)8-5-4-7(13-2)6-10-8/h7-8,10H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyJWIOTGMFDITXJY-BRFYHDHCSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate (CID 167030701) is ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate is CCOC(=O)[C@H]1CCC(SC)CN1.
What is the InChIKey of ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate?
The InChIKey is JWIOTGMFDITXJY-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-12-9(11)8-5-4-7(13-2)6-10-8/h7-8,10H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate?
ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate has a molecular weight of 203.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-methylsulfanylpiperidine-2-carboxylate is sourced from PubChem (CID 167030701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).