N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide

C13H25N3OS — CID 66422483

IUPACN-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCN1CCCCC1
InChIInChI=1S/C13H25N3OS/c17-13(10-12-11-18-9-5-14-12)15-4-8-16-6-2-1-3-7-16/h12,14H,1-11H2,(H,15,17)
InChIKeyIVTJROJYYWCORO-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.68
Rot. Bonds5

About N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide

N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422483) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422483
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCN1CCCCC1
InChIInChI=1S/C13H25N3OS/c17-13(10-12-11-18-9-5-14-12)15-4-8-16-6-2-1-3-7-16/h12,14H,1-11H2,(H,15,17)
InChIKeyIVTJROJYYWCORO-UHFFFAOYSA-N
XLogP0.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941252
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941285
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
N-[4-(3-methylpiperidin-1-yl)butyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941291
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119935290
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941544
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide (CID 66422483) is N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCN1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is IVTJROJYYWCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c17-13(10-12-11-18-9-5-14-12)15-4-8-16-6-2-1-3-7-16/h12,14H,1-11H2,(H,15,17).
What are the key properties of N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide?
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 271.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).