N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide

C11H23NO2S — CID 65112479

IUPACN-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide
SMILESCCC(O)(CC)CNC(=O)CSC(C)C
InChIInChI=1S/C11H23NO2S/c1-5-11(14,6-2)8-12-10(13)7-15-9(3)4/h9,14H,5-8H2,1-4H3,(H,12,13)
InChIKeyPHGLWQZUBGZQKL-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.80
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide

N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 65112479) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide
PubChem CID65112479
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide
SMILESCCC(O)(CC)CNC(=O)CSC(C)C
InChIInChI=1S/C11H23NO2S/c1-5-11(14,6-2)8-12-10(13)7-15-9(3)4/h9,14H,5-8H2,1-4H3,(H,12,13)
InChIKeyPHGLWQZUBGZQKL-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-3,3-dimethylbutanamide
CID 71787170
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)cyclopropanecarboxamide
CID 71787256
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)pivalamide
CID 71787258
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-3,3-dimethylbutanamide
CID 71787262
2-(cyclopentylthio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71806383
2-ethyl-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)butanamide
CID 72006713
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886661
N-(2-hydroxy-2,3-dimethylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886692
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-2-methylpropanamide
CID 109928315
N-(2-ethyl-2-hydroxybutyl)acetamide
CID 12379468
(2S)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide
CID 126716828
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CID 163617470

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide (CID 65112479) is N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide is CCC(O)(CC)CNC(=O)CSC(C)C.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is PHGLWQZUBGZQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-11(14,6-2)8-12-10(13)7-15-9(3)4/h9,14H,5-8H2,1-4H3,(H,12,13).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide?
N-(2-ethyl-2-hydroxybutyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 233.38 g/mol, XLogP of 1.80, 7 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-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 65112479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).