2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine

C17H29NO2S — CID 64674358

IUPAC2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
SMILESCCCCS(=O)(=O)CC(NCC)c1ccc(CCC)cc1
InChIInChI=1S/C17H29NO2S/c1-4-7-13-21(19,20)14-17(18-6-3)16-11-9-15(8-5-2)10-12-16/h9-12,17-18H,4-8,13-14H2,1-3H3
InChIKeyMOJUISCVMWORKJ-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.50
Rot. Bonds10

About 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine

2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine (PubChem CID 64674358) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
PubChem CID64674358
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
SMILESCCCCS(=O)(=O)CC(NCC)c1ccc(CCC)cc1
InChIInChI=1S/C17H29NO2S/c1-4-7-13-21(19,20)14-17(18-6-3)16-11-9-15(8-5-2)10-12-16/h9-12,17-18H,4-8,13-14H2,1-3H3
InChIKeyMOJUISCVMWORKJ-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
CID 64645122
N-ethyl-1-(4-methylphenyl)-2-pentylsulfonylethanamine
CID 107758684
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512
N-ethyl-1-(3-methylphenyl)-2-pentylsulfonylethanamine
CID 107758671
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64644621
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
CID 64646605
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
2-butylsulfonyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64675735
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 107763388

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine (CID 64674358) is 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine is CCCCS(=O)(=O)CC(NCC)c1ccc(CCC)cc1.
What is the InChIKey of 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine?
The InChIKey is MOJUISCVMWORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-4-7-13-21(19,20)14-17(18-6-3)16-11-9-15(8-5-2)10-12-16/h9-12,17-18H,4-8,13-14H2,1-3H3.
What are the key properties of 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine?
2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine has a molecular weight of 311.49 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 64674358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).