N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide

C16H32N4OS — CID 119942614

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
SMILESCCN1CCN(CC(C)CNC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C16H32N4OS/c1-3-19-5-7-20(8-6-19)12-14(2)11-18-16(21)10-15-13-22-9-4-17-15/h14-15,17H,3-13H2,1-2H3,(H,18,21)
InChIKeyKAPAVZSDJONSKX-UHFFFAOYSA-N
MW328.53 g/mol
LogP0.47
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942614) has the molecular formula C16H32N4OS and a molecular weight of 328.53 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942614
Molecular FormulaC16H32N4OS
Molecular Weight328.53 g/mol
Exact Mass328.23
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
SMILESCCN1CCN(CC(C)CNC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C16H32N4OS/c1-3-19-5-7-20(8-6-19)12-14(2)11-18-16(21)10-15-13-22-9-4-17-15/h14-15,17H,3-13H2,1-2H3,(H,18,21)
InChIKeyKAPAVZSDJONSKX-UHFFFAOYSA-N
XLogP0.47
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119942620
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941344
N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940987
2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 106175845
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941241
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119941053
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
2-ethyl-2-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]butanoic acid
CID 115430291

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide (CID 119942614) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide is CCN1CCN(CC(C)CNC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is KAPAVZSDJONSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4OS/c1-3-19-5-7-20(8-6-19)12-14(2)11-18-16(21)10-15-13-22-9-4-17-15/h14-15,17H,3-13H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 328.53 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).