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

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Related Compounds

2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
CID 152754160
5-fluoro-2,4-dimethyl-N-[methyl(methylidene)-λ4-sulfanyl]aniline
CID 145156034
N-(2,4,5-trimethylphenyl)carbamoyl fluoride
CID 88834231
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
methane;1,2,4,5-tetramethylbenzene
CID 162125793
1-(2-hydroxyethyl)-5-methoxy-2-methyl-4-(sulfinatoamino)benzene
CID 57267847
methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
CID 115247433
1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3463712
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
2-hydroxy-N-(2,4,5-trimethylphenyl)propanamide
CID 115140395
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877

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).