3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide

C9H19NO2S — CID 174338982

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide
SMILESCC(C)(C)OCCC(=O)NCCS
InChIInChI=1S/C9H19NO2S/c1-9(2,3)12-6-4-8(11)10-5-7-13/h13H,4-7H2,1-3H3,(H,10,11)
InChIKeyREQNGSPXAHWMQY-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.24
Rot. Bonds5

About 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide

3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide (PubChem CID 174338982) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide
PubChem CID174338982
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide
SMILESCC(C)(C)OCCC(=O)NCCS
InChIInChI=1S/C9H19NO2S/c1-9(2,3)12-6-4-8(11)10-5-7-13/h13H,4-7H2,1-3H3,(H,10,11)
InChIKeyREQNGSPXAHWMQY-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide (CID 174338982) is 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide is CC(C)(C)OCCC(=O)NCCS.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide?
The InChIKey is REQNGSPXAHWMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)12-6-4-8(11)10-5-7-13/h13H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide?
3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide has a molecular weight of 205.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 174338982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).