2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine

C15H25NO2S — CID 64646373

IUPAC2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(CS(=O)(=O)C(C)(C)C)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-6-12-7-9-13(10-8-12)14(16-5)11-19(17,18)15(2,3)4/h7-10,14,16H,6,11H2,1-5H3
InChIKeyWHUHYUQJTPGXRH-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.72
Rot. Bonds5

About 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine

2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine (PubChem CID 64646373) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
PubChem CID64646373
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(CS(=O)(=O)C(C)(C)C)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-6-12-7-9-13(10-8-12)14(16-5)11-19(17,18)15(2,3)4/h7-10,14,16H,6,11H2,1-5H3
InChIKeyWHUHYUQJTPGXRH-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 64646371
2-tert-butylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64645179
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950168
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
CID 66234501
1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64651139
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine (CID 64646373) is 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(C(CS(=O)(=O)C(C)(C)C)NC)cc1.
What is the InChIKey of 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is WHUHYUQJTPGXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-12-7-9-13(10-8-12)14(16-5)11-19(17,18)15(2,3)4/h7-10,14,16H,6,11H2,1-5H3.
What are the key properties of 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine?
2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 64646373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).