2-(benzenesulfinyl)-N,N-dimethylacetamide

C10H13NO2S — CID 25183887

IUPAC2-(benzenesulfinyl)-N,N-dimethylacetamide
SMILESCN(C)[13C](=O)CS(=O)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-11(2)10(12)8-14(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/i10+1
InChIKeyWPVYRRXYIKBUSH-DETAZLGJSA-N
MW212.28 g/mol
LogP0.88
Rot. Bonds3

About 2-(benzenesulfinyl)-N,N-dimethylacetamide

2-(benzenesulfinyl)-N,N-dimethylacetamide (PubChem CID 25183887) has the molecular formula C10H13NO2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(benzenesulfinyl)-N,N-dimethylacetamide
PubChem CID25183887
Molecular FormulaC10H13NO2S
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-(benzenesulfinyl)-N,N-dimethylacetamide
SMILESCN(C)[13C](=O)CS(=O)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-11(2)10(12)8-14(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/i10+1
InChIKeyWPVYRRXYIKBUSH-DETAZLGJSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(benzenesulfinyl)-N,N-dimethylacetamide (CID 25183887) is 2-(benzenesulfinyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(benzenesulfinyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(benzenesulfinyl)-N,N-dimethylacetamide is CN(C)[13C](=O)CS(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-N,N-dimethylacetamide?
The InChIKey is WPVYRRXYIKBUSH-DETAZLGJSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11(2)10(12)8-14(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/i10+1.
What are the key properties of 2-(benzenesulfinyl)-N,N-dimethylacetamide?
2-(benzenesulfinyl)-N,N-dimethylacetamide has a molecular weight of 212.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-N,N-dimethylacetamide is sourced from PubChem (CID 25183887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).