4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine

C16H27NO2S — CID 65095593

IUPAC4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-5-20(18,19)12-6-7-16(17-4)15-10-8-14(9-11-15)13(2)3/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyFTXSJICKKZLICY-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.29
Rot. Bonds8

About 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine

4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 65095593) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID65095593
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2S/c1-5-20(18,19)12-6-7-16(17-4)15-10-8-14(9-11-15)13(2)3/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyFTXSJICKKZLICY-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-methyl-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65095652
1-(3-bromo-5-fluorophenyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 66423448
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
2-tert-butylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64645179
1-(2-tert-butylphenyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 104986270
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 103406210
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
CID 115865302

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine (CID 65095593) is 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine is CCS(=O)(=O)CCCC(NC)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is FTXSJICKKZLICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-5-20(18,19)12-6-7-16(17-4)15-10-8-14(9-11-15)13(2)3/h8-11,13,16-17H,5-7,12H2,1-4H3.
What are the key properties of 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine?
4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 297.46 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 65095593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).