N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide

C10H21NO2S — CID 79381408

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)CCSC
InChIInChI=1S/C10H21NO2S/c1-5-11(8-10(2,3)13)9(12)6-7-14-4/h13H,5-8H2,1-4H3
InChIKeyQALCAXGFXQEZNF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide (PubChem CID 79381408) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
PubChem CID79381408
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)CCSC
InChIInChI=1S/C10H21NO2S/c1-5-11(8-10(2,3)13)9(12)6-7-14-4/h13H,5-8H2,1-4H3
InChIKeyQALCAXGFXQEZNF-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide (CID 79381408) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide is CCN(CC(C)(C)O)C(=O)CCSC.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide?
The InChIKey is QALCAXGFXQEZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-11(8-10(2,3)13)9(12)6-7-14-4/h13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 79381408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).