4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine

C10H16N2O2S — CID 60918123

IUPAC4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
SMILESCc1ccc(NCCS(C)(=O)=O)c(N)c1
InChIInChI=1S/C10H16N2O2S/c1-8-3-4-10(9(11)7-8)12-5-6-15(2,13)14/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyVUPPXSNUAFODJE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.03
Rot. Bonds4

About 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine

4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine (PubChem CID 60918123) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
PubChem CID60918123
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
SMILESCc1ccc(NCCS(C)(=O)=O)c(N)c1
InChIInChI=1S/C10H16N2O2S/c1-8-3-4-10(9(11)7-8)12-5-6-15(2,13)14/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyVUPPXSNUAFODJE-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
4-methyl-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 54935176
2-fluoro-4-methyl-N-(3-methylsulfonylpropyl)aniline
CID 63190667
2-(2-amino-4-methylanilino)acetamide
CID 43349420
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
CID 106333936
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
CID 62872422
1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine
CID 54377265
6-N-(2-methylsulfonylethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 54934736
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 61242311

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine (CID 60918123) is 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine is Cc1ccc(NCCS(C)(=O)=O)c(N)c1.
What is the InChIKey of 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine?
The InChIKey is VUPPXSNUAFODJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-3-4-10(9(11)7-8)12-5-6-15(2,13)14/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine?
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine has a molecular weight of 228.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine is sourced from PubChem (CID 60918123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).