2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid

C14H24N2O4S — CID 66445546

IUPAC2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESCCOC1CCCN(C(=O)N2CCSCC2CC(=O)O)C1
InChIInChI=1S/C14H24N2O4S/c1-2-20-12-4-3-5-15(9-12)14(19)16-6-7-21-10-11(16)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyWHQYSBQZDVDBJG-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.50
Rot. Bonds4

About 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66445546) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID66445546
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESCCOC1CCCN(C(=O)N2CCSCC2CC(=O)O)C1
InChIInChI=1S/C14H24N2O4S/c1-2-20-12-4-3-5-15(9-12)14(19)16-6-7-21-10-11(16)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyWHQYSBQZDVDBJG-UHFFFAOYSA-N
XLogP1.50
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445684
3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 54989919
2-[4-(4-propan-2-ylpiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 103500479
2-[4-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]thiomorpholin-3-yl]acetic acid
CID 112626706
2-[4-(4,4-dimethylpiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445183
2-[4-(2-methylpyrrolidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444343
2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292
2-[4-(3,4,5-trimethylpiperazine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 114538782
2-[4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 102891116
2-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]thiomorpholin-3-yl]acetic acid
CID 66443980
2-(4-decanoylthiomorpholin-3-yl)acetic acid
CID 66444636
2-(4-nonanoylthiomorpholin-3-yl)acetic acid
CID 66445249

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid (CID 66445546) is 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid is CCOC1CCCN(C(=O)N2CCSCC2CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is WHQYSBQZDVDBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-2-20-12-4-3-5-15(9-12)14(19)16-6-7-21-10-11(16)8-13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 316.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66445546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).