N-(2-ethylsulfonylethyl)-3-methylaniline

C11H17NO2S — CID 43807532

IUPACN-(2-ethylsulfonylethyl)-3-methylaniline
SMILESCCS(=O)(=O)CCNc1cccc(C)c1
InChIInChI=1S/C11H17NO2S/c1-3-15(13,14)8-7-12-11-6-4-5-10(2)9-11/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyPCIICYGGODJDOX-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.84
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-3-methylaniline

N-(2-ethylsulfonylethyl)-3-methylaniline (PubChem CID 43807532) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-3-methylaniline.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-3-methylaniline
PubChem CID43807532
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(2-ethylsulfonylethyl)-3-methylaniline
SMILESCCS(=O)(=O)CCNc1cccc(C)c1
InChIInChI=1S/C11H17NO2S/c1-3-15(13,14)8-7-12-11-6-4-5-10(2)9-11/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyPCIICYGGODJDOX-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline
CID 106512366
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051
3-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106513613
2-ethylsulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 60902906
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 54806140
6-(3-methylanilino)hexan-3-one
CID 10798292
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
N-(2-ethylsulfonylethyl)-4-phenylaniline
CID 62253497
N-ethyl-3-methylaniline;4-methylbenzenesulfonic acid
CID 162312873
N-(3-ethylsulfonylpropyl)-3-propan-2-ylaniline
CID 65093459

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-3-methylaniline?
The IUPAC name of N-(2-ethylsulfonylethyl)-3-methylaniline (CID 43807532) is N-(2-ethylsulfonylethyl)-3-methylaniline.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-3-methylaniline?
The canonical SMILES for N-(2-ethylsulfonylethyl)-3-methylaniline is CCS(=O)(=O)CCNc1cccc(C)c1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-3-methylaniline?
The InChIKey is PCIICYGGODJDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-15(13,14)8-7-12-11-6-4-5-10(2)9-11/h4-6,9,12H,3,7-8H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-3-methylaniline?
N-(2-ethylsulfonylethyl)-3-methylaniline has a molecular weight of 227.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-3-methylaniline is sourced from PubChem (CID 43807532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).