ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate

C9H17NO3S — CID 124710720

IUPACethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1([S@](C)=O)CCNCC1
InChIInChI=1S/C9H17NO3S/c1-3-13-8(11)9(14(2)12)4-6-10-7-5-9/h10H,3-7H2,1-2H3/t14-/m0/s1
InChIKeyYHEGYMYSVHHZNI-AWEZNQCLSA-N
MW219.31 g/mol
LogP0.05
Rot. Bonds3

About ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate

ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate (PubChem CID 124710720) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate
PubChem CID124710720
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Nameethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1([S@](C)=O)CCNCC1
InChIInChI=1S/C9H17NO3S/c1-3-13-8(11)9(14(2)12)4-6-10-7-5-9/h10H,3-7H2,1-2H3/t14-/m0/s1
InChIKeyYHEGYMYSVHHZNI-AWEZNQCLSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
CID 141202253
ethyl 4-(difluoromethyl)piperidine-4-carboxylate
CID 135383160
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
ethyl 4-azidopiperidine-4-carboxylate
CID 150250309
ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate
CID 70869304
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108
ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate
CID 170591642
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate (CID 124710720) is ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate is CCOC(=O)C1([S@](C)=O)CCNCC1.
What is the InChIKey of ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate?
The InChIKey is YHEGYMYSVHHZNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-13-8(11)9(14(2)12)4-6-10-7-5-9/h10H,3-7H2,1-2H3/t14-/m0/s1.
What are the key properties of ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate?
ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate has a molecular weight of 219.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate is sourced from PubChem (CID 124710720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).