N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide

C12H22N2O2S — CID 114467849

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESC=C(C)COCCNC(=O)CC1CSCCN1
InChIInChI=1S/C12H22N2O2S/c1-10(2)8-16-5-3-14-12(15)7-11-9-17-6-4-13-11/h11,13H,1,3-9H2,2H3,(H,14,15)
InChIKeyLRWNEXCIDMZRMJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.79
Rot. Bonds7

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

N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 114467849) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID114467849
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESC=C(C)COCCNC(=O)CC1CSCCN1
InChIInChI=1S/C12H22N2O2S/c1-10(2)8-16-5-3-14-12(15)7-11-9-17-6-4-13-11/h11,13H,1,3-9H2,2H3,(H,14,15)
InChIKeyLRWNEXCIDMZRMJ-UHFFFAOYSA-N
XLogP0.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 114163687
N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 66420455
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937188
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-thiomorpholin-3-ylacetamide
CID 119941360
N-(3-cyclopentyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938129

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide (CID 114467849) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide is C=C(C)COCCNC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is LRWNEXCIDMZRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-10(2)8-16-5-3-14-12(15)7-11-9-17-6-4-13-11/h11,13H,1,3-9H2,2H3,(H,14,15).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 258.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 114467849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).