N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide

C10H20N2O3S — CID 66420493

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCOCCO
InChIInChI=1S/C10H20N2O3S/c13-3-5-15-4-1-12-10(14)7-9-8-16-6-2-11-9/h9,11,13H,1-8H2,(H,12,14)
InChIKeyCTGQPFZIMCHTMH-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.79
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66420493) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66420493
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCOCCO
InChIInChI=1S/C10H20N2O3S/c13-3-5-15-4-1-12-10(14)7-9-8-16-6-2-11-9/h9,11,13H,1-8H2,(H,12,14)
InChIKeyCTGQPFZIMCHTMH-UHFFFAOYSA-N
XLogP-0.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 114467849
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 114163687
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-thiomorpholin-3-ylacetamide
CID 119941360
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
N-(3-cyclopentyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938129
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935650

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide (CID 66420493) is N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is CTGQPFZIMCHTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c13-3-5-15-4-1-12-10(14)7-9-8-16-6-2-11-9/h9,11,13H,1-8H2,(H,12,14).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 248.35 g/mol, XLogP of -0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).