ethane;4-ethyl-N,N-dimethylbenzenesulfinamide

C12H21NOS — CID 164551718

IUPACethane;4-ethyl-N,N-dimethylbenzenesulfinamide
SMILESCC.CCc1ccc(S(=O)N(C)C)cc1
InChIInChI=1S/C10H15NOS.C2H6/c1-4-9-5-7-10(8-6-9)13(12)11(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyZAASGOMJUOYWQG-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.86
Rot. Bonds3

About ethane;4-ethyl-N,N-dimethylbenzenesulfinamide

ethane;4-ethyl-N,N-dimethylbenzenesulfinamide (PubChem CID 164551718) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is ethane;4-ethyl-N,N-dimethylbenzenesulfinamide.

Molecular Properties

Compound Nameethane;4-ethyl-N,N-dimethylbenzenesulfinamide
PubChem CID164551718
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Nameethane;4-ethyl-N,N-dimethylbenzenesulfinamide
SMILESCC.CCc1ccc(S(=O)N(C)C)cc1
InChIInChI=1S/C10H15NOS.C2H6/c1-4-9-5-7-10(8-6-9)13(12)11(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyZAASGOMJUOYWQG-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N,N-dimethylbenzenesulfinamide?
The IUPAC name of ethane;4-ethyl-N,N-dimethylbenzenesulfinamide (CID 164551718) is ethane;4-ethyl-N,N-dimethylbenzenesulfinamide.
What is the SMILES notation for ethane;4-ethyl-N,N-dimethylbenzenesulfinamide?
The canonical SMILES for ethane;4-ethyl-N,N-dimethylbenzenesulfinamide is CC.CCc1ccc(S(=O)N(C)C)cc1.
What is the InChIKey of ethane;4-ethyl-N,N-dimethylbenzenesulfinamide?
The InChIKey is ZAASGOMJUOYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.C2H6/c1-4-9-5-7-10(8-6-9)13(12)11(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-N,N-dimethylbenzenesulfinamide?
ethane;4-ethyl-N,N-dimethylbenzenesulfinamide has a molecular weight of 227.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N,N-dimethylbenzenesulfinamide is sourced from PubChem (CID 164551718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).