1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

C14H26N2O2S — CID 119939216

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCCOCC1CCCN(C(=O)CC2CSCCN2)C1
InChIInChI=1S/C14H26N2O2S/c1-2-18-10-12-4-3-6-16(9-12)14(17)8-13-11-19-7-5-15-13/h12-13,15H,2-11H2,1H3
InChIKeyRRUKVSNKKCFQJA-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.36
Rot. Bonds5

About 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 119939216) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID119939216
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCCOCC1CCCN(C(=O)CC2CSCCN2)C1
InChIInChI=1S/C14H26N2O2S/c1-2-18-10-12-4-3-6-16(9-12)14(17)8-13-11-19-7-5-15-13/h12-13,15H,2-11H2,1H3
InChIKeyRRUKVSNKKCFQJA-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119939969
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide
CID 119936804
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-(3,4-dimethylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421505

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (CID 119939216) is 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is CCOCC1CCCN(C(=O)CC2CSCCN2)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is RRUKVSNKKCFQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-18-10-12-4-3-6-16(9-12)14(17)8-13-11-19-7-5-15-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 286.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 119939216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).