N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide

C11H23NO2S — CID 71787258

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

About N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide (PubChem CID 71787258) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide
PubChem CID71787258
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide
SMILESCSCCC(C)(O)CNC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2,3)9(13)12-8-11(4,14)6-7-15-5/h14H,6-8H2,1-5H3,(H,12,13)
InChIKeyNMLRORXQVMUEGX-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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide (CID 71787258) is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide is CSCCC(C)(O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide?
The InChIKey is NMLRORXQVMUEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2,3)9(13)12-8-11(4,14)6-7-15-5/h14H,6-8H2,1-5H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide?
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,2-dimethylpropanamide 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-4-methylsulfanylbutyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 71787258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).