2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide

C11H23NO2S — CID 103705755

IUPAC2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSC(C)C(C)O
InChIInChI=1S/C11H23NO2S/c1-6-11(4,5)12-10(14)7-15-9(3)8(2)13/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyIMMQCCUOLDAHAJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.79
Rot. Bonds6

About 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide

2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 103705755) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID103705755
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSC(C)C(C)O
InChIInChI=1S/C11H23NO2S/c1-6-11(4,5)12-10(14)7-15-9(3)8(2)13/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyIMMQCCUOLDAHAJ-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide (CID 103705755) is 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CSC(C)C(C)O.
What is the InChIKey of 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is IMMQCCUOLDAHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-11(4,5)12-10(14)7-15-9(3)8(2)13/h8-9,13H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide?
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 233.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103705755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).