2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline

C13H21NO2S — CID 106723108

IUPAC2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCc1ccc(C)c(NCCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C13H21NO2S/c1-10(2)17(15,16)8-7-14-13-9-11(3)5-6-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyFTMYPIRFQNDZCD-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.54
Rot. Bonds5

About 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline

2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline (PubChem CID 106723108) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
PubChem CID106723108
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCc1ccc(C)c(NCCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C13H21NO2S/c1-10(2)17(15,16)8-7-14-13-9-11(3)5-6-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyFTMYPIRFQNDZCD-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732643
N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790
4-fluoro-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723660
(2,5-dimethylanilino)methanesulfonic acid
CID 3019008
4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 114250217
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
CID 106724603
N-[(3-methylphenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723290
3-bromo-4-(2-propan-2-ylsulfonylethylamino)benzonitrile
CID 107789472
4-bromo-2-(2-propan-2-ylsulfonylethylamino)benzonitrile
CID 114002525
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline (CID 106723108) is 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline is Cc1ccc(C)c(NCCS(=O)(=O)C(C)C)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline?
The InChIKey is FTMYPIRFQNDZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(2)17(15,16)8-7-14-13-9-11(3)5-6-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline?
2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline has a molecular weight of 255.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline is sourced from PubChem (CID 106723108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).