N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide

C8H16N2O2S — CID 28780497

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C8H16N2O2S/c1-3-12-6-8(11)10(2)5-4-7(9)13/h3-6H2,1-2H3,(H2,9,13)
InChIKeyZOCGFIWIFSOIDQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.16
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide (PubChem CID 28780497) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
PubChem CID28780497
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C8H16N2O2S/c1-3-12-6-8(11)10(2)5-4-7(9)13/h3-6H2,1-2H3,(H2,9,13)
InChIKeyZOCGFIWIFSOIDQ-UHFFFAOYSA-N
XLogP0.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
CID 82961286
N-(2-aminoethyl)-2-ethoxy-N-methylacetamide
CID 61350460
N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
CID 106201796
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide
CID 43291335
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide
CID 103020271
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 43291162
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43291188
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63983390

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide (CID 28780497) is N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide is CCOCC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide?
The InChIKey is ZOCGFIWIFSOIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-12-6-8(11)10(2)5-4-7(9)13/h3-6H2,1-2H3,(H2,9,13).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide has a molecular weight of 204.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide is sourced from PubChem (CID 28780497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).