1-(methoxysulfinylamino)-2,4,5-trimethylbenzene

C10H15NO2S — CID 22942643

IUPAC1-(methoxysulfinylamino)-2,4,5-trimethylbenzene
SMILESCOS(=O)Nc1cc(C)c(C)cc1C
InChIInChI=1S/C10H15NO2S/c1-7-5-9(3)10(6-8(7)2)11-14(12)13-4/h5-6,11H,1-4H3
InChIKeyDXOGATAWFMFMIB-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.25
Rot. Bonds3

About 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene

1-(methoxysulfinylamino)-2,4,5-trimethylbenzene (PubChem CID 22942643) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-(methoxysulfinylamino)-2,4,5-trimethylbenzene
PubChem CID22942643
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(methoxysulfinylamino)-2,4,5-trimethylbenzene
SMILESCOS(=O)Nc1cc(C)c(C)cc1C
InChIInChI=1S/C10H15NO2S/c1-7-5-9(3)10(6-8(7)2)11-14(12)13-4/h5-6,11H,1-4H3
InChIKeyDXOGATAWFMFMIB-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene?
The IUPAC name of 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene (CID 22942643) is 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene?
The canonical SMILES for 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene is COS(=O)Nc1cc(C)c(C)cc1C.
What is the InChIKey of 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene?
The InChIKey is DXOGATAWFMFMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-5-9(3)10(6-8(7)2)11-14(12)13-4/h5-6,11H,1-4H3.
What are the key properties of 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene?
1-(methoxysulfinylamino)-2,4,5-trimethylbenzene has a molecular weight of 213.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxysulfinylamino)-2,4,5-trimethylbenzene is sourced from PubChem (CID 22942643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).