N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine

C11H18N2OS — CID 115929463

IUPACN-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine
SMILESCCOCC(C)Nc1ccc(SC)nc1
InChIInChI=1S/C11H18N2OS/c1-4-14-8-9(2)13-10-5-6-11(15-3)12-7-10/h5-7,9,13H,4,8H2,1-3H3
InChIKeyJNCIVSHQMXOAAE-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.64
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine

N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine (PubChem CID 115929463) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine
PubChem CID115929463
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine
SMILESCCOCC(C)Nc1ccc(SC)nc1
InChIInChI=1S/C11H18N2OS/c1-4-14-8-9(2)13-10-5-6-11(15-3)12-7-10/h5-7,9,13H,4,8H2,1-3H3
InChIKeyJNCIVSHQMXOAAE-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-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

6-ethoxy-N-(1-ethoxypropan-2-yl)pyridin-3-amine
CID 115922413
6-methylsulfanyl-N-propan-2-ylpyridin-3-amine
CID 115929480
N-(1-ethoxypropan-2-yl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 115922081
N-(1-ethoxypropan-2-yl)quinolin-3-amine
CID 104695232
N-(1-ethoxypropan-2-yl)-4-propylaniline
CID 115917220
5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104533936
N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848
N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
CID 115917084
N-(dicyclopropylmethyl)-6-methylsulfanylpyridin-3-amine
CID 115929475
1-[4-(1-ethoxypropan-2-ylamino)phenyl]propan-1-one
CID 114066673
5-N-(1-ethoxypropan-2-yl)pyridine-3,5-diamine
CID 104533935
N-(1-ethoxypropan-2-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642420

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine (CID 115929463) is N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine is CCOCC(C)Nc1ccc(SC)nc1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine?
The InChIKey is JNCIVSHQMXOAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-14-8-9(2)13-10-5-6-11(15-3)12-7-10/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine?
N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine has a molecular weight of 226.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine is sourced from PubChem (CID 115929463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).