2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine

C16H27NO2S — CID 64646371

IUPAC2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(CS(=O)(=O)C(C)(C)C)c1ccc(CC)cc1
InChIInChI=1S/C16H27NO2S/c1-6-13-8-10-14(11-9-13)15(17-7-2)12-20(18,19)16(3,4)5/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyMPPLIYCSCCZAHE-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.11
Rot. Bonds6

About 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine

2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine (PubChem CID 64646371) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine
PubChem CID64646371
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(CS(=O)(=O)C(C)(C)C)c1ccc(CC)cc1
InChIInChI=1S/C16H27NO2S/c1-6-13-8-10-14(11-9-13)15(17-7-2)12-20(18,19)16(3,4)5/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyMPPLIYCSCCZAHE-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
CID 64646373
2-tert-butylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64645179
N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
CID 64645122
N-ethyl-1-(4-ethylphenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63470331
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
CID 64674358
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine (CID 64646371) is 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine is CCNC(CS(=O)(=O)C(C)(C)C)c1ccc(CC)cc1.
What is the InChIKey of 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine?
The InChIKey is MPPLIYCSCCZAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-13-8-10-14(11-9-13)15(17-7-2)12-20(18,19)16(3,4)5/h8-11,15,17H,6-7,12H2,1-5H3.
What are the key properties of 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine?
2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine has a molecular weight of 297.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 64646371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).