4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline

C14H23NO2S — CID 114250217

IUPAC4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCCc1ccc(NCCS(=O)(=O)C(C)C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-13-6-7-14(10-12(13)4)15-8-9-18(16,17)11(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3
InChIKeyCNOMJUQOXJKVLC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.79
Rot. Bonds6

About 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline

4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline (PubChem CID 114250217) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
PubChem CID114250217
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCCc1ccc(NCCS(=O)(=O)C(C)C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-13-6-7-14(10-12(13)4)15-8-9-18(16,17)11(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3
InChIKeyCNOMJUQOXJKVLC-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723660
4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline
CID 107619790
4-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106722923
2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723108
3-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723469
2-(4-fluoro-2-methylphenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724029
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
4-(difluoromethoxy)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723179
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
N-(2-butan-2-ylsulfonylethyl)-4-methylaniline
CID 106512700
4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
CID 167824866
4-ethyl-N-hept-6-enyl-3-methylaniline
CID 114250202

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline?
The IUPAC name of 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline (CID 114250217) is 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline.
What is the SMILES notation for 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline?
The canonical SMILES for 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline is CCc1ccc(NCCS(=O)(=O)C(C)C)cc1C.
What is the InChIKey of 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline?
The InChIKey is CNOMJUQOXJKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-13-6-7-14(10-12(13)4)15-8-9-18(16,17)11(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3.
What are the key properties of 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline?
4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline has a molecular weight of 269.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline is sourced from PubChem (CID 114250217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).