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

C14H27N3OS — CID 119941252

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC1CCCN(CCNC(=O)CC2CSCCN2)C1
InChIInChI=1S/C14H27N3OS/c1-12-3-2-6-17(10-12)7-4-16-14(18)9-13-11-19-8-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyOJOGYHFHXLTEQL-UHFFFAOYSA-N
MW285.46 g/mol
LogP0.93
Rot. Bonds5

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

N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941252) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941252
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC1CCCN(CCNC(=O)CC2CSCCN2)C1
InChIInChI=1S/C14H27N3OS/c1-12-3-2-6-17(10-12)7-4-16-14(18)9-13-11-19-8-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyOJOGYHFHXLTEQL-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-[4-(3-methylpiperidin-1-yl)butyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941291
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119851043
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119851024
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941544
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119941252) is N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide is CC1CCCN(CCNC(=O)CC2CSCCN2)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OJOGYHFHXLTEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-12-3-2-6-17(10-12)7-4-16-14(18)9-13-11-19-8-5-15-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(3-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-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).