N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide

C9H19NO2S — CID 65112202

IUPACN-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide
SMILESCCC(O)(CC)CNC(=O)CSC
InChIInChI=1S/C9H19NO2S/c1-4-9(12,5-2)7-10-8(11)6-13-3/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyPLCKXPLLGSNKMR-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.02
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide

N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide (PubChem CID 65112202) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide
PubChem CID65112202
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide
SMILESCCC(O)(CC)CNC(=O)CSC
InChIInChI=1S/C9H19NO2S/c1-4-9(12,5-2)7-10-8(11)6-13-3/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyPLCKXPLLGSNKMR-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide (CID 65112202) is N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide is CCC(O)(CC)CNC(=O)CSC.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide?
The InChIKey is PLCKXPLLGSNKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-9(12,5-2)7-10-8(11)6-13-3/h12H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide?
N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide has a molecular weight of 205.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 65112202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).