N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine

C16H27NO2S — CID 64645122

IUPACN-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
SMILESCCCc1ccc(C(CS(=O)(=O)CCC)NCC)cc1
InChIInChI=1S/C16H27NO2S/c1-4-7-14-8-10-15(11-9-14)16(17-6-3)13-20(18,19)12-5-2/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyFQDFZFISZNJNIX-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.11
Rot. Bonds9

About N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine

N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine (PubChem CID 64645122) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
PubChem CID64645122
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
SMILESCCCc1ccc(C(CS(=O)(=O)CCC)NCC)cc1
InChIInChI=1S/C16H27NO2S/c1-4-7-14-8-10-15(11-9-14)16(17-6-3)13-20(18,19)12-5-2/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyFQDFZFISZNJNIX-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
CID 64674358
N-ethyl-1-(4-methylphenyl)-2-pentylsulfonylethanamine
CID 107758684
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64644621
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512
N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
CID 64646605
N-[1-(3,4-dimethylphenyl)-2-propylsulfonylethyl]propan-1-amine
CID 64646093
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
2-tert-butylsulfonyl-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 64646371
N-ethyl-1-naphthalen-1-yl-2-propylsulfonylethanamine
CID 64644512
N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 64645191
N-ethyl-1-(3-methylphenyl)-2-pentylsulfonylethanamine
CID 107758671
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine?
The IUPAC name of N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine (CID 64645122) is N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine.
What is the SMILES notation for N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine?
The canonical SMILES for N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine is CCCc1ccc(C(CS(=O)(=O)CCC)NCC)cc1.
What is the InChIKey of N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine?
The InChIKey is FQDFZFISZNJNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-4-7-14-8-10-15(11-9-14)16(17-6-3)13-20(18,19)12-5-2/h8-11,16-17H,4-7,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine?
N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine has a molecular weight of 297.46 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine is sourced from PubChem (CID 64645122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).