3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide

C10H20N2O2S — CID 81056262

IUPAC3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide
SMILESCCOCCN(C)C(=O)C(C)(C)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-5-14-7-6-12(4)9(13)10(2,3)8(11)15/h5-7H2,1-4H3,(H2,11,15)
InChIKeyHPFSYTXALHPUMR-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.79
Rot. Bonds6

About 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide

3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide (PubChem CID 81056262) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide
PubChem CID81056262
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide
SMILESCCOCCN(C)C(=O)C(C)(C)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-5-14-7-6-12(4)9(13)10(2,3)8(11)15/h5-7H2,1-4H3,(H2,11,15)
InChIKeyHPFSYTXALHPUMR-UHFFFAOYSA-N
XLogP0.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-methoxy-N,2-dimethylpropanamide
CID 103896451
2-carbamothioyl-N-[2-(2-hydroxyethoxy)ethyl]-N,2-dimethylbutanamide
CID 114242521
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanamide
CID 81061651
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
CID 82961286
2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate
CID 81073715
1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
N-(2-butoxyethyl)-N,2,2-trimethylpropanamide
CID 88916539

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide (CID 81056262) is 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide is CCOCCN(C)C(=O)C(C)(C)C(N)=S.
What is the InChIKey of 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide?
The InChIKey is HPFSYTXALHPUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-5-14-7-6-12(4)9(13)10(2,3)8(11)15/h5-7H2,1-4H3,(H2,11,15).
What are the key properties of 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide?
3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide has a molecular weight of 232.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxyethyl)-N,2,2-trimethyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 81056262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).