N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide

C11H23NO3S — CID 107168055

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H23NO3S/c1-10(2,15-4)6-9(13)12-7-11(3,14)8-16-5/h14H,6-8H2,1-5H3,(H,12,13)
InChIKeyXXYXSQZSPXGVMJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.03
Rot. Bonds7

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide (PubChem CID 107168055) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide
PubChem CID107168055
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H23NO3S/c1-10(2,15-4)6-9(13)12-7-11(3,14)8-16-5/h14H,6-8H2,1-5H3,(H,12,13)
InChIKeyXXYXSQZSPXGVMJ-UHFFFAOYSA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide (CID 107168055) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NCC(C)(O)CSC.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide?
The InChIKey is XXYXSQZSPXGVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2,15-4)6-9(13)12-7-11(3,14)8-16-5/h14H,6-8H2,1-5H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide has a molecular weight of 249.38 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 107168055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).