2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine

C16H27NO2S — CID 64647483

IUPAC2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(CS(=O)(=O)C(C)CC)c1cc(C)ccc1C
InChIInChI=1S/C16H27NO2S/c1-6-14(5)20(18,19)11-16(17-7-2)15-10-12(3)8-9-13(15)4/h8-10,14,16-17H,6-7,11H2,1-5H3
InChIKeyXHVXSSKIWACSFW-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.17
Rot. Bonds7

About 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine

2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 64647483) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
PubChem CID64647483
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(CS(=O)(=O)C(C)CC)c1cc(C)ccc1C
InChIInChI=1S/C16H27NO2S/c1-6-14(5)20(18,19)11-16(17-7-2)15-10-12(3)8-9-13(15)4/h8-10,14,16-17H,6-7,11H2,1-5H3
InChIKeyXHVXSSKIWACSFW-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfonyl-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 64644890
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
CID 107759188
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine (CID 64647483) is 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine is CCNC(CS(=O)(=O)C(C)CC)c1cc(C)ccc1C.
What is the InChIKey of 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is XHVXSSKIWACSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-14(5)20(18,19)11-16(17-7-2)15-10-12(3)8-9-13(15)4/h8-10,14,16-17H,6-7,11H2,1-5H3.
What are the key properties of 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine?
2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine has a molecular weight of 297.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 64647483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).