4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid

C14H24N2O3S — CID 114429640

IUPAC4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)CC2CSCCN2)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3S/c1-2-10-3-5-16(12(7-10)14(18)19)13(17)8-11-9-20-6-4-15-11/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyRJYSPSJNTRCFSZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.18
Rot. Bonds4

About 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid

4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid (PubChem CID 114429640) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid
PubChem CID114429640
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)CC2CSCCN2)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3S/c1-2-10-3-5-16(12(7-10)14(18)19)13(17)8-11-9-20-6-4-15-11/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyRJYSPSJNTRCFSZ-UHFFFAOYSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(2-morpholin-3-ylacetyl)piperidine-2-carboxylic acid
CID 114429784
(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66421279
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119936904
1-(2-methyl-3-phenylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119940002
4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 114429674
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426976
4-ethyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 114427038

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid (CID 114429640) is 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid is CCC1CCN(C(=O)CC2CSCCN2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid?
The InChIKey is RJYSPSJNTRCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-2-10-3-5-16(12(7-10)14(18)19)13(17)8-11-9-20-6-4-15-11/h10-12,15H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid?
4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114429640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).