2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide

C8H18N2O2S — CID 66244137

IUPAC2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSC(C)CN
InChIInChI=1S/C8H18N2O2S/c1-7(5-9)13-6-8(11)10-3-4-12-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyLFFPECQCLOCTNM-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.17
Rot. Bonds7

About 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide

2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide (PubChem CID 66244137) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
PubChem CID66244137
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSC(C)CN
InChIInChI=1S/C8H18N2O2S/c1-7(5-9)13-6-8(11)10-3-4-12-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyLFFPECQCLOCTNM-UHFFFAOYSA-N
XLogP-0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66229989
3-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138241
2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide
CID 66218622
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 103705609
2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81201126
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 82180848
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-propan-2-yloxyethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55356954

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide (CID 66244137) is 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSC(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is LFFPECQCLOCTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(5-9)13-6-8(11)10-3-4-12-2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide?
2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 206.31 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 66244137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).