N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine

C16H27NO2S — CID 63198549

IUPACN-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine
SMILESCCCC(Cc1ccccc1S(=O)(=O)CCC)NCC
InChIInChI=1S/C16H27NO2S/c1-4-9-15(17-6-3)13-14-10-7-8-11-16(14)20(18,19)12-5-2/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3
InChIKeyQWNQXMBQDLOJLW-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.19
Rot. Bonds9

About N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine

N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine (PubChem CID 63198549) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine
PubChem CID63198549
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine
SMILESCCCC(Cc1ccccc1S(=O)(=O)CCC)NCC
InChIInChI=1S/C16H27NO2S/c1-4-9-15(17-6-3)13-14-10-7-8-11-16(14)20(18,19)12-5-2/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3
InChIKeyQWNQXMBQDLOJLW-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63199979
N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
CID 63199727
N,3,3-trimethyl-1-(2-propylsulfonylphenyl)butan-2-amine
CID 63198050
N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
CID 63200608
1-(2-propylsulfonylphenyl)butan-2-one
CID 63199177
(2-propylsulfonylphenyl)methanamine;hydrochloride
CID 68816477
N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine
CID 106584775
N-ethyl-2-propylsulfonylaniline
CID 43453634
1-bromo-2-propylsulfonylbenzene
CID 54596100
N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine
CID 63198265
1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine (CID 63198549) is N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine is CCCC(Cc1ccccc1S(=O)(=O)CCC)NCC.
What is the InChIKey of N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine?
The InChIKey is QWNQXMBQDLOJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-4-9-15(17-6-3)13-14-10-7-8-11-16(14)20(18,19)12-5-2/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine?
N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine has a molecular weight of 297.46 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine is sourced from PubChem (CID 63198549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).