2-(benzenesulfinylmethyl)butanamide

C11H15NO2S — CID 15624072

IUPAC2-(benzenesulfinylmethyl)butanamide
SMILESCCC(CS(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C11H15NO2S/c1-2-9(11(12)13)8-15(14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13)
InChIKeySOVVVEZIHDJGRG-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.31
Rot. Bonds5

About 2-(benzenesulfinylmethyl)butanamide

2-(benzenesulfinylmethyl)butanamide (PubChem CID 15624072) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(benzenesulfinylmethyl)butanamide.

Molecular Properties

Compound Name2-(benzenesulfinylmethyl)butanamide
PubChem CID15624072
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-(benzenesulfinylmethyl)butanamide
SMILESCCC(CS(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C11H15NO2S/c1-2-9(11(12)13)8-15(14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13)
InChIKeySOVVVEZIHDJGRG-UHFFFAOYSA-N
XLogP1.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
3-Benzenesulfinyl-heptanoic acid hydroxyamide
CID 9816867
6-Benzenesulfinylhexanoic acid hydroxamide
CID 11694528
3-(benzenesulfonyl)-N-hydroxypropanamide
CID 54131575
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylsulfanylbutanamide
CID 2997922
2-(Phenylsulfinyl)acetamide
CID 12335699
3-Benzenesulfonyl-pentanoic acid hydroxyamide
CID 10753630
3-(Benzylsulfonyl)-2-methylpropanamide
CID 335544
3-(Benzenesulfonyl)propanamide
CID 853565
2-(Benzenesulfonyl)acetamide
CID 1810305
3-Benzenesulfonyl-N-hydroxy-butyramide
CID 10847809
2-(3-Fluorophenyl)sulfinylacetamide
CID 80032422

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinylmethyl)butanamide?
The IUPAC name of 2-(benzenesulfinylmethyl)butanamide (CID 15624072) is 2-(benzenesulfinylmethyl)butanamide.
What is the SMILES notation for 2-(benzenesulfinylmethyl)butanamide?
The canonical SMILES for 2-(benzenesulfinylmethyl)butanamide is CCC(CS(=O)c1ccccc1)C(N)=O.
What is the InChIKey of 2-(benzenesulfinylmethyl)butanamide?
The InChIKey is SOVVVEZIHDJGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-9(11(12)13)8-15(14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13).
What are the key properties of 2-(benzenesulfinylmethyl)butanamide?
2-(benzenesulfinylmethyl)butanamide has a molecular weight of 225.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinylmethyl)butanamide is sourced from PubChem (CID 15624072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).