N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide

C10H21NO2S — CID 139518878

IUPACN-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCCOC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-10(2,3)13-7-5-6-11-9(12)8-14-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyUSHXODUHJNXXES-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.67
Rot. Bonds6

About N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide

N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide (PubChem CID 139518878) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide
PubChem CID139518878
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCCOC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-10(2,3)13-7-5-6-11-9(12)8-14-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyUSHXODUHJNXXES-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide (CID 139518878) is N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide is CSCC(=O)NCCCOC(C)(C)C.
What is the InChIKey of N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide?
The InChIKey is USHXODUHJNXXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)13-7-5-6-11-9(12)8-14-4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide?
N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide has a molecular weight of 219.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 139518878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).