2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline

C13H21NO2S — CID 43453587

IUPAC2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
SMILESCCS(=O)(=O)c1ccccc1NC(C)C(C)C
InChIInChI=1S/C13H21NO2S/c1-5-17(15,16)13-9-7-6-8-12(13)14-11(4)10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyIHDPJZKBIXYPBA-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.94
Rot. Bonds5

About 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline

2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43453587) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43453587
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
SMILESCCS(=O)(=O)c1ccccc1NC(C)C(C)C
InChIInChI=1S/C13H21NO2S/c1-5-17(15,16)13-9-7-6-8-12(13)14-11(4)10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyIHDPJZKBIXYPBA-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline (CID 43453587) is 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline is CCS(=O)(=O)c1ccccc1NC(C)C(C)C.
What is the InChIKey of 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is IHDPJZKBIXYPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-17(15,16)13-9-7-6-8-12(13)14-11(4)10(2)3/h6-11,14H,5H2,1-4H3.
What are the key properties of 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline?
2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 255.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43453587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).