N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide

C12H25NO2S — CID 71787262

IUPACN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide
SMILESCSCCC(C)(O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-11(2,3)8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14)
InChIKeyWEWWUFZFLLCNIN-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.04
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide (PubChem CID 71787262) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide
PubChem CID71787262
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide
SMILESCSCCC(C)(O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-11(2,3)8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14)
InChIKeyWEWWUFZFLLCNIN-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.04
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)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide (CID 71787262) is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide is CSCCC(C)(O)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide?
The InChIKey is WEWWUFZFLLCNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2,3)8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide?
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3,3-dimethylbutanamide has a molecular weight of 247.40 g/mol, XLogP of 2.04, 6 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 71787262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).