1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone

C13H24N2O2S — CID 66420291

IUPAC1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESCCOC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C13H24N2O2S/c1-2-17-12-3-6-15(7-4-12)13(16)9-11-10-18-8-5-14-11/h11-12,14H,2-10H2,1H3
InChIKeyGRCGQTWPFWPPKY-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.11
Rot. Bonds4

About 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone

1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 66420291) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
PubChem CID66420291
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESCCOC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C13H24N2O2S/c1-2-17-12-3-6-15(7-4-12)13(16)9-11-10-18-8-5-14-11/h11-12,14H,2-10H2,1H3
InChIKeyGRCGQTWPFWPPKY-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
3-[2-(4-ethoxypiperidin-1-yl)ethyl]thiomorpholine
CID 66422527
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
1-[3-(diethylamino)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941033
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone (CID 66420291) is 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone is CCOC1CCN(C(=O)CC2CSCCN2)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is GRCGQTWPFWPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-2-17-12-3-6-15(7-4-12)13(16)9-11-10-18-8-5-14-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 272.41 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66420291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).