N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine

C16H27NO2S — CID 63561716

IUPACN-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine
SMILESCCCS(=O)(=O)c1ccc(C(C)C(CC)NCC)cc1
InChIInChI=1S/C16H27NO2S/c1-5-12-20(18,19)15-10-8-14(9-11-15)13(4)16(6-2)17-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyMAANTZNGBDVKNB-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.36
Rot. Bonds8

About N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine

N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine (PubChem CID 63561716) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine
PubChem CID63561716
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine
SMILESCCCS(=O)(=O)c1ccc(C(C)C(CC)NCC)cc1
InChIInChI=1S/C16H27NO2S/c1-5-12-20(18,19)15-10-8-14(9-11-15)13(4)16(6-2)17-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyMAANTZNGBDVKNB-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
CID 63561329
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63560932
1-(2-chloropentan-3-yl)-4-propylsulfonylbenzene
CID 63205338
1-(4-bromobutan-2-yl)-4-propylsulfonylbenzene
CID 83927277
1-(2-bromo-4-methylpentan-3-yl)-4-propylsulfonylbenzene
CID 63205484
N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
CID 64640593
1-(4-propylsulfonylphenyl)butan-1-amine
CID 82550637
3-bromo-2-(4-propylsulfonylphenyl)propanenitrile
CID 63215778
4-propylsulfonylbenzenesulfonic acid
CID 163962227
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
CID 55162014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine?
The IUPAC name of N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine (CID 63561716) is N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine.
What is the SMILES notation for N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine?
The canonical SMILES for N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine is CCCS(=O)(=O)c1ccc(C(C)C(CC)NCC)cc1.
What is the InChIKey of N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine?
The InChIKey is MAANTZNGBDVKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-5-12-20(18,19)15-10-8-14(9-11-15)13(4)16(6-2)17-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3.
What are the key properties of N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine?
N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine has a molecular weight of 297.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine is sourced from PubChem (CID 63561716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).