N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide

C13H23NO3S — CID 55141502

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide
SMILESCC(=O)C(NC(=O)CSC1CCOCC1)C(C)C
InChIInChI=1S/C13H23NO3S/c1-9(2)13(10(3)15)14-12(16)8-18-11-4-6-17-7-5-11/h9,11,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyOUWUCBLYTQVPTO-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.63
Rot. Bonds6

About N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide (PubChem CID 55141502) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide
PubChem CID55141502
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide
SMILESCC(=O)C(NC(=O)CSC1CCOCC1)C(C)C
InChIInChI=1S/C13H23NO3S/c1-9(2)13(10(3)15)14-12(16)8-18-11-4-6-17-7-5-11/h9,11,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyOUWUCBLYTQVPTO-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide (CID 55141502) is N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide is CC(=O)C(NC(=O)CSC1CCOCC1)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide?
The InChIKey is OUWUCBLYTQVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-9(2)13(10(3)15)14-12(16)8-18-11-4-6-17-7-5-11/h9,11,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide has a molecular weight of 273.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide is sourced from PubChem (CID 55141502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).