N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline

C13H21NO2S — CID 82551311

IUPACN-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline
SMILESCCNc1cc(C)ccc1S(=O)(=O)CC(C)C
InChIInChI=1S/C13H21NO2S/c1-5-14-12-8-11(4)6-7-13(12)17(15,16)9-10(2)3/h6-8,10,14H,5,9H2,1-4H3
InChIKeyGHIUEGKQTTWAIF-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.86
Rot. Bonds5

About N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline

N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline (PubChem CID 82551311) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline
PubChem CID82551311
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline
SMILESCCNc1cc(C)ccc1S(=O)(=O)CC(C)C
InChIInChI=1S/C13H21NO2S/c1-5-14-12-8-11(4)6-7-13(12)17(15,16)9-10(2)3/h6-8,10,14H,5,9H2,1-4H3
InChIKeyGHIUEGKQTTWAIF-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143835073
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(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol
CID 124624181
N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376
2-[2-(ethylamino)-4-methylphenyl]propanoic acid
CID 154242740
N,2-diethyl-4-methylaniline
CID 23348946
1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine
CID 64640615
5-methyl-2-(2-methylpentylsulfonyl)aniline
CID 81193186
1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
CID 107889485
2-(ethylamino)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 62510944
5-methyl-2-(2-methylpropylsulfonylamino)benzoic acid
CID 62999145
2-(ethylamino)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline?
The IUPAC name of N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline (CID 82551311) is N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline.
What is the SMILES notation for N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline?
The canonical SMILES for N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline is CCNc1cc(C)ccc1S(=O)(=O)CC(C)C.
What is the InChIKey of N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline?
The InChIKey is GHIUEGKQTTWAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-14-12-8-11(4)6-7-13(12)17(15,16)9-10(2)3/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline?
N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline has a molecular weight of 255.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-(2-methylpropylsulfonyl)aniline is sourced from PubChem (CID 82551311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).