N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide

C17H27N5OS — CID 119942596

IUPACN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCN1CCN(c2ccc(CNC(=O)CC3CSCCN3)cn2)CC1
InChIInChI=1S/C17H27N5OS/c1-21-5-7-22(8-6-21)16-3-2-14(11-19-16)12-20-17(23)10-15-13-24-9-4-18-15/h2-3,11,15,18H,4-10,12-13H2,1H3,(H,20,23)
InChIKeyZGTPAYJYBPBQHJ-UHFFFAOYSA-N
MW349.50 g/mol
LogP0.54
Rot. Bonds5

About N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942596) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942596
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCN1CCN(c2ccc(CNC(=O)CC3CSCCN3)cn2)CC1
InChIInChI=1S/C17H27N5OS/c1-21-5-7-22(8-6-21)16-3-2-14(11-19-16)12-20-17(23)10-15-13-24-9-4-18-15/h2-3,11,15,18H,4-10,12-13H2,1H3,(H,20,23)
InChIKeyZGTPAYJYBPBQHJ-UHFFFAOYSA-N
XLogP0.54
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide;trihydrochloride
CID 119942599
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120632054
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120632053
N-[(4-pyrazol-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936845
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941169
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941781
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide (CID 119942596) is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide is CN1CCN(c2ccc(CNC(=O)CC3CSCCN3)cn2)CC1.
What is the InChIKey of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is ZGTPAYJYBPBQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-21-5-7-22(8-6-21)16-3-2-14(11-19-16)12-20-17(23)10-15-13-24-9-4-18-15/h2-3,11,15,18H,4-10,12-13H2,1H3,(H,20,23).
What are the key properties of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide?
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 349.50 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).