N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide

C14H27N3OS — CID 66420689

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC1CCN(CCNC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H27N3OS/c1-12-2-6-17(7-3-12)8-4-16-14(18)10-13-11-19-9-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyAUNFJYSVAXMUHK-UHFFFAOYSA-N
MW285.46 g/mol
LogP0.93
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66420689) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66420689
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC1CCN(CCNC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H27N3OS/c1-12-2-6-17(7-3-12)8-4-16-14(18)10-13-11-19-9-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyAUNFJYSVAXMUHK-UHFFFAOYSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941252
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[4-(3-methylpiperidin-1-yl)butyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941291
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941285
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422109
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 66420455

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 66420689) is N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide is CC1CCN(CCNC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is AUNFJYSVAXMUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-12-2-6-17(7-3-12)8-4-16-14(18)10-13-11-19-9-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 285.46 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).