2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide

C13H19NO2S — CID 75379567

IUPAC2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide
SMILESCc1ccc(CS(=O)CC(=O)N(C)C)cc1C
InChIInChI=1S/C13H19NO2S/c1-10-5-6-12(7-11(10)2)8-17(16)9-13(15)14(3)4/h5-7H,8-9H2,1-4H3
InChIKeyFICYIJZAFGFGRY-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.64
Rot. Bonds4

About 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide

2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide (PubChem CID 75379567) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide
PubChem CID75379567
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide
SMILESCc1ccc(CS(=O)CC(=O)N(C)C)cc1C
InChIInChI=1S/C13H19NO2S/c1-10-5-6-12(7-11(10)2)8-17(16)9-13(15)14(3)4/h5-7H,8-9H2,1-4H3
InChIKeyFICYIJZAFGFGRY-UHFFFAOYSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-[(R)-(3,4-dimethylphenyl)methylsulfinyl]acetyl]amino]-N,N-dimethylpropanamide
CID 97070838
2-[(3,4-dimethylphenyl)methylsulfinyl]ethanamine
CID 81175012
2-[[5-(aminomethyl)-2-fluorophenyl]methylsulfinyl]-N,N-dimethylacetamide
CID 114233485
1-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanone
CID 64637394
3-[2-[(3,4-dimethylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116011
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
N-(1-chloropropan-2-yl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 104555801
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845305
2-[(3aS,6aR)-1-[(3,4-dimethylphenyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-N,N-dimethylacetamide
CID 97458952
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166333

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide (CID 75379567) is 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide is Cc1ccc(CS(=O)CC(=O)N(C)C)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide?
The InChIKey is FICYIJZAFGFGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-5-6-12(7-11(10)2)8-17(16)9-13(15)14(3)4/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide?
2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide has a molecular weight of 253.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 75379567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).