2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide

C15H18N2O3S — CID 43447714

IUPAC2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(OCCN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C15H18N2O3S/c16-13(21)10-11-4-6-12(7-5-11)20-9-8-17-14(18)2-1-3-15(17)19/h4-7H,1-3,8-10H2,(H2,16,21)
InChIKeyXDHUYIMBMWIGGF-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide

2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide (PubChem CID 43447714) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide
PubChem CID43447714
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(OCCN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C15H18N2O3S/c16-13(21)10-11-4-6-12(7-5-11)20-9-8-17-14(18)2-1-3-15(17)19/h4-7H,1-3,8-10H2,(H2,16,21)
InChIKeyXDHUYIMBMWIGGF-UHFFFAOYSA-N
XLogP1.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(aminomethyl)phenoxy]ethyl]azepane-2,7-dione
CID 43447525
2-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]ethanethioamide
CID 61238288
3-[2-(2,7-dioxoazepan-1-yl)ethoxy]benzenecarbothioamide
CID 43447696
2-[4-(2,7-dioxoazepan-1-yl)phenyl]ethanethioamide
CID 62305287
4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione
CID 61312500
2-[4-[2-(4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]ethanethioamide
CID 61224572
2-[4-[2-(5-methyl-2-oxopyrimidin-1-yl)ethoxy]phenyl]ethanethioamide
CID 63206440
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
CID 43291468
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
CID 43291475
2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide
CID 60891304

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide (CID 43447714) is 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide is NC(=S)Cc1ccc(OCCN2C(=O)CCCC2=O)cc1.
What is the InChIKey of 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide?
The InChIKey is XDHUYIMBMWIGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-13(21)10-11-4-6-12(7-5-11)20-9-8-17-14(18)2-1-3-15(17)19/h4-7H,1-3,8-10H2,(H2,16,21).
What are the key properties of 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide?
2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide has a molecular weight of 306.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 43447714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).