1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone

C12H20N2OS — CID 112700724

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
SMILESCSCCN(C)CC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C12H20N2OS/c1-9-7-11(10(2)13-9)12(15)8-14(3)5-6-16-4/h7,13H,5-6,8H2,1-4H3
InChIKeyJIIDCAYPSFCUHU-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.11
Rot. Bonds6

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone (PubChem CID 112700724) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
PubChem CID112700724
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
SMILESCSCCN(C)CC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C12H20N2OS/c1-9-7-11(10(2)13-9)12(15)8-14(3)5-6-16-4/h7,13H,5-6,8H2,1-4H3
InChIKeyJIIDCAYPSFCUHU-UHFFFAOYSA-N
XLogP2.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone 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

2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135512428
2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate
CID 2133019
2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135460633
2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135512436
1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 237027
2-azido-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 80473250
2-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one hydrochloride
CID 165891693
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
CID 8933374
4-amino-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 135420571
1-(5-butyl-2-methyl-1H-pyrrol-3-yl)ethanone
CID 134858771
1-(1,2,5-Trimethyl-1H-pyrrol-3-yl)ethanone
CID 12280556
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl)ethanone
CID 137979504

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone (CID 112700724) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone is CSCCN(C)CC(=O)c1cc(C)[nH]c1C.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The InChIKey is JIIDCAYPSFCUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-7-11(10(2)13-9)12(15)8-14(3)5-6-16-4/h7,13H,5-6,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone has a molecular weight of 240.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone is sourced from PubChem (CID 112700724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).