N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide

C11H23NO2S — CID 71787170

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide
SMILESCSCC(C)(O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2,3)6-9(13)12-7-11(4,14)8-15-5/h14H,6-8H2,1-5H3,(H,12,13)
InChIKeyIPAIFUCWHCNHNG-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.65
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide (PubChem CID 71787170) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide
PubChem CID71787170
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide
SMILESCSCC(C)(O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2,3)6-9(13)12-7-11(4,14)8-15-5/h14H,6-8H2,1-5H3,(H,12,13)
InChIKeyIPAIFUCWHCNHNG-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-3-(methylthio)propyl)cyclopropanecarboxamide
CID 71787166
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)pivalamide
CID 71787168
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-ethyl-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)butanamide
CID 72006713
4,4,4-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide
CID 103707611
2-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide
CID 109928265
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)cyclobutanecarboxamide
CID 71787167
N-[(S)-2-hydroxy-2-methyl-3-(methylthio)propyl]2,2-dimethylpropionamide
CID 95984082
2-[2-(2,2-Dimethylbutanoylamino)ethylsulfanyl]acetic acid
CID 18978089
3-hydroxy-3-methyl-N-(2-methylsulfanylethyl)butanamide
CID 57939579

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide (CID 71787170) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide is CSCC(C)(O)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide?
The InChIKey is IPAIFUCWHCNHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2,3)6-9(13)12-7-11(4,14)8-15-5/h14H,6-8H2,1-5H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide has a molecular weight of 233.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 71787170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).