N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide

C9H19NO2S — CID 79380407

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
SMILESCCN(CC(C)(C)O)C(=O)CSC
InChIInChI=1S/C9H19NO2S/c1-5-10(7-9(2,3)12)8(11)6-13-4/h12H,5-7H2,1-4H3
InChIKeyJXVAVNSLKUCGNY-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.97
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide (PubChem CID 79380407) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
PubChem CID79380407
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
SMILESCCN(CC(C)(C)O)C(=O)CSC
InChIInChI=1S/C9H19NO2S/c1-5-10(7-9(2,3)12)8(11)6-13-4/h12H,5-7H2,1-4H3
InChIKeyJXVAVNSLKUCGNY-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.97
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)-2-methylsulfanylacetamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide (CID 79380407) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide is CCN(CC(C)(C)O)C(=O)CSC.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide?
The InChIKey is JXVAVNSLKUCGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-10(7-9(2,3)12)8(11)6-13-4/h12H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide has a molecular weight of 205.32 g/mol, XLogP of 0.97, 5 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)-2-methylsulfanylacetamide is sourced from PubChem (CID 79380407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).