N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide

C8H15NO2S — CID 114469847

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
SMILESC=C(C)COCCNC(=O)CS
InChIInChI=1S/C8H15NO2S/c1-7(2)5-11-4-3-9-8(10)6-12/h12H,1,3-6H2,2H3,(H,9,10)
InChIKeyIWBGOMKVQFINDO-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.63
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide (PubChem CID 114469847) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
PubChem CID114469847
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
SMILESC=C(C)COCCNC(=O)CS
InChIInChI=1S/C8H15NO2S/c1-7(2)5-11-4-3-9-8(10)6-12/h12H,1,3-6H2,2H3,(H,9,10)
InChIKeyIWBGOMKVQFINDO-UHFFFAOYSA-N
XLogP0.63
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
CID 115699624
2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
CID 114467608
N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide
CID 107989485
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 113258479
2-(4-chlorophenyl)sulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide (CID 114469847) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide is C=C(C)COCCNC(=O)CS.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide?
The InChIKey is IWBGOMKVQFINDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(2)5-11-4-3-9-8(10)6-12/h12H,1,3-6H2,2H3,(H,9,10).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide has a molecular weight of 189.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide is sourced from PubChem (CID 114469847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).