N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine

C12H20N2O3S — CID 61379623

IUPACN-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
SMILESCCS(=O)(=O)CCNc1cccnc1OC(C)C
InChIInChI=1S/C12H20N2O3S/c1-4-18(15,16)9-8-13-11-6-5-7-14-12(11)17-10(2)3/h5-7,10,13H,4,8-9H2,1-3H3
InChIKeyFIFFUHIOPGYEPZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.72
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine

N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 61379623) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
PubChem CID61379623
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
SMILESCCS(=O)(=O)CCNc1cccnc1OC(C)C
InChIInChI=1S/C12H20N2O3S/c1-4-18(15,16)9-8-13-11-6-5-7-14-12(11)17-10(2)3/h5-7,10,13H,4,8-9H2,1-3H3
InChIKeyFIFFUHIOPGYEPZ-UHFFFAOYSA-N
XLogP1.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-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-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
CID 81093253
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
CID 79359765
N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine
CID 113436858
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 103001068
N-(2-propan-2-yloxy-3-pyridinyl)formamide
CID 64991997
3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244
3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
CID 103243918
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine (CID 61379623) is N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine is CCS(=O)(=O)CCNc1cccnc1OC(C)C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is FIFFUHIOPGYEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-18(15,16)9-8-13-11-6-5-7-14-12(11)17-10(2)3/h5-7,10,13H,4,8-9H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine?
N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 272.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 61379623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).