2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline

C11H18N2O2S — CID 81189641

IUPAC2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline
SMILESCc1cccc(S(=O)(=O)CCN(C)C)c1N
InChIInChI=1S/C11H18N2O2S/c1-9-5-4-6-10(11(9)12)16(14,15)8-7-13(2)3/h4-6H,7-8,12H2,1-3H3
InChIKeyLMUKEKIYEWNHAM-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.91
Rot. Bonds4

About 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline

2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline (PubChem CID 81189641) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline
PubChem CID81189641
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline
SMILESCc1cccc(S(=O)(=O)CCN(C)C)c1N
InChIInChI=1S/C11H18N2O2S/c1-9-5-4-6-10(11(9)12)16(14,15)8-7-13(2)3/h4-6H,7-8,12H2,1-3H3
InChIKeyLMUKEKIYEWNHAM-UHFFFAOYSA-N
XLogP0.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylsulfonylethylsulfonyl)-6-methylaniline
CID 106735771
2-(3-ethylsulfonylpropylsulfonyl)-6-methylaniline
CID 81189069
2-methyl-6-[2-(1-methylpyrazol-4-yl)ethylsulfonyl]aniline
CID 103020458
N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 173497553
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81187306
2-[(2-chloro-4-methylphenyl)methylsulfonyl]-6-methylaniline
CID 106871028
2-[(2,5-difluorophenyl)methylsulfonyl]-6-methylaniline
CID 81187654
3-[(2-amino-3-methylphenyl)sulfonylmethyl]benzonitrile
CID 81188599
2-[(6-methoxy-2-pyridinyl)methylsulfonyl]-6-methylaniline
CID 81188835
2-methyl-6-(oxan-2-ylmethylsulfonyl)aniline
CID 81188241
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfonyl)-6-methylaniline
CID 81188479
2-[(2-methoxy-3-pyridinyl)methylsulfonyl]-6-methylaniline
CID 81189637

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline (CID 81189641) is 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline is Cc1cccc(S(=O)(=O)CCN(C)C)c1N.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline?
The InChIKey is LMUKEKIYEWNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9-5-4-6-10(11(9)12)16(14,15)8-7-13(2)3/h4-6H,7-8,12H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline?
2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline has a molecular weight of 242.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline is sourced from PubChem (CID 81189641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).