3-(4-methylsulfinylphenyl)butanamide

C11H15NO2S — CID 123524648

IUPAC3-(4-methylsulfinylphenyl)butanamide
SMILESCC(CC(N)=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C11H15NO2S/c1-8(7-11(12)13)9-3-5-10(6-4-9)15(2)14/h3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKeyDHNAUIQWNZRVFE-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.40
Rot. Bonds4

About 3-(4-methylsulfinylphenyl)butanamide

3-(4-methylsulfinylphenyl)butanamide (PubChem CID 123524648) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(4-methylsulfinylphenyl)butanamide.

Molecular Properties

Compound Name3-(4-methylsulfinylphenyl)butanamide
PubChem CID123524648
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-(4-methylsulfinylphenyl)butanamide
SMILESCC(CC(N)=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C11H15NO2S/c1-8(7-11(12)13)9-3-5-10(6-4-9)15(2)14/h3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKeyDHNAUIQWNZRVFE-UHFFFAOYSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfinylphenyl)butanamide?
The IUPAC name of 3-(4-methylsulfinylphenyl)butanamide (CID 123524648) is 3-(4-methylsulfinylphenyl)butanamide.
What is the SMILES notation for 3-(4-methylsulfinylphenyl)butanamide?
The canonical SMILES for 3-(4-methylsulfinylphenyl)butanamide is CC(CC(N)=O)c1ccc(S(C)=O)cc1.
What is the InChIKey of 3-(4-methylsulfinylphenyl)butanamide?
The InChIKey is DHNAUIQWNZRVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(7-11(12)13)9-3-5-10(6-4-9)15(2)14/h3-6,8H,7H2,1-2H3,(H2,12,13).
What are the key properties of 3-(4-methylsulfinylphenyl)butanamide?
3-(4-methylsulfinylphenyl)butanamide has a molecular weight of 225.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfinylphenyl)butanamide is sourced from PubChem (CID 123524648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).