N,N-diethyl-4-methylsulfinylbenzamide

C12H17NO2S — CID 59365466

IUPACN,N-diethyl-4-methylsulfinylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-4-13(5-2)12(14)10-6-8-11(9-7-10)16(3)15/h6-9H,4-5H2,1-3H3
InChIKeyPOEROYHLKZGZIA-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.91
Rot. Bonds4

About N,N-diethyl-4-methylsulfinylbenzamide

N,N-diethyl-4-methylsulfinylbenzamide (PubChem CID 59365466) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N,N-diethyl-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-methylsulfinylbenzamide
PubChem CID59365466
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN,N-diethyl-4-methylsulfinylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-4-13(5-2)12(14)10-6-8-11(9-7-10)16(3)15/h6-9H,4-5H2,1-3H3
InChIKeyPOEROYHLKZGZIA-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylsulfinylbenzamide?
The IUPAC name of N,N-diethyl-4-methylsulfinylbenzamide (CID 59365466) is N,N-diethyl-4-methylsulfinylbenzamide.
What is the SMILES notation for N,N-diethyl-4-methylsulfinylbenzamide?
The canonical SMILES for N,N-diethyl-4-methylsulfinylbenzamide is CCN(CC)C(=O)c1ccc(S(C)=O)cc1.
What is the InChIKey of N,N-diethyl-4-methylsulfinylbenzamide?
The InChIKey is POEROYHLKZGZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-4-13(5-2)12(14)10-6-8-11(9-7-10)16(3)15/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-methylsulfinylbenzamide?
N,N-diethyl-4-methylsulfinylbenzamide has a molecular weight of 239.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylsulfinylbenzamide is sourced from PubChem (CID 59365466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).