diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane

C12H19NOS — CID 163908315

IUPACdiethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane
SMILESCCc1ccccc1N=S(=O)(CC)CC
InChIInChI=1S/C12H19NOS/c1-4-11-9-7-8-10-12(11)13-15(14,5-2)6-3/h7-10H,4-6H2,1-3H3
InChIKeyBGAKKPGERKGHDI-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.39
Rot. Bonds4

About diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane

diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane (PubChem CID 163908315) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namediethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane
PubChem CID163908315
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Namediethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane
SMILESCCc1ccccc1N=S(=O)(CC)CC
InChIInChI=1S/C12H19NOS/c1-4-11-9-7-8-10-12(11)13-15(14,5-2)6-3/h7-10H,4-6H2,1-3H3
InChIKeyBGAKKPGERKGHDI-UHFFFAOYSA-N
XLogP3.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-2-methylphenyl)imino-diethyl-oxo-λ6-sulfane
CID 125456307
diethyl-oxo-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imino-λ6-sulfane
CID 125455206
diethyl-[(2-fluoro-3-pyridinyl)imino]-oxo-λ6-sulfane
CID 125451060
1-ethyl-2-isocyanatobenzene
CID 583486
1,2-diethylbenzene;hydrobromide
CID 174973685
N'-(2-ethylphenyl)butanimidamide
CID 63178290
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
1-ethyl-2-[(2-ethylphenyl)sulfonylmethylsulfonyl]benzene
CID 87641988
2-ethylaniline;sulfuric acid
CID 67820112
azane;1-ethyl-2-fluorobenzene
CID 66657049
N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl iodide
CID 14930845
(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
CID 125449498

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane?
The IUPAC name of diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane (CID 163908315) is diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane.
What is the SMILES notation for diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane?
The canonical SMILES for diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane is CCc1ccccc1N=S(=O)(CC)CC.
What is the InChIKey of diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane?
The InChIKey is BGAKKPGERKGHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-11-9-7-8-10-12(11)13-15(14,5-2)6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane?
diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane has a molecular weight of 225.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-ethylphenyl)imino-oxo-λ6-sulfane is sourced from PubChem (CID 163908315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).