2-ethylbenzenesulfinamide

C8H11NOS — CID 153412457

IUPAC2-ethylbenzenesulfinamide
SMILESCCc1ccccc1S(N)=O
InChIInChI=1S/C8H11NOS/c1-2-7-5-3-4-6-8(7)11(9)10/h3-6H,2,9H2,1H3
InChIKeyPSKPGONFKWHAPY-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.23
Rot. Bonds2

About 2-ethylbenzenesulfinamide

2-ethylbenzenesulfinamide (PubChem CID 153412457) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-ethylbenzenesulfinamide.

Molecular Properties

Compound Name2-ethylbenzenesulfinamide
PubChem CID153412457
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-ethylbenzenesulfinamide
SMILESCCc1ccccc1S(N)=O
InChIInChI=1S/C8H11NOS/c1-2-7-5-3-4-6-8(7)11(9)10/h3-6H,2,9H2,1H3
InChIKeyPSKPGONFKWHAPY-UHFFFAOYSA-N
XLogP1.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzenesulfinamide?
The IUPAC name of 2-ethylbenzenesulfinamide (CID 153412457) is 2-ethylbenzenesulfinamide.
What is the SMILES notation for 2-ethylbenzenesulfinamide?
The canonical SMILES for 2-ethylbenzenesulfinamide is CCc1ccccc1S(N)=O.
What is the InChIKey of 2-ethylbenzenesulfinamide?
The InChIKey is PSKPGONFKWHAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-7-5-3-4-6-8(7)11(9)10/h3-6H,2,9H2,1H3.
What are the key properties of 2-ethylbenzenesulfinamide?
2-ethylbenzenesulfinamide has a molecular weight of 169.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzenesulfinamide is sourced from PubChem (CID 153412457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).