1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid

C15H26N2O3S — CID 114430408

IUPAC1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CC(C)SC(C)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O3S/c1-4-12-5-6-17(13(7-12)14(18)19)15(20)16-8-10(2)21-11(3)9-16/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyPQVBMWYJNBLPHT-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.51
Rot. Bonds2

About 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid

1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114430408) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114430408
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CC(C)SC(C)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O3S/c1-4-12-5-6-17(13(7-12)14(18)19)15(20)16-8-10(2)21-11(3)9-16/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyPQVBMWYJNBLPHT-UHFFFAOYSA-N
XLogP2.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114679618
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350
4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 102963044
4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114430577
4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82905305
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 114427226
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426976

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid (CID 114430408) is 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)N2CC(C)SC(C)C2)C(C(=O)O)C1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is PQVBMWYJNBLPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-12-5-6-17(13(7-12)14(18)19)15(20)16-8-10(2)21-11(3)9-16/h10-13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid?
1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 314.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114430408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).