2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

C15H20N2O2S — CID 62474218

IUPAC2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(CNc2ccccc2S(C)(=O)=O)c(C)n1C
InChIInChI=1S/C15H20N2O2S/c1-11-9-13(12(2)17(11)3)10-16-14-7-5-6-8-15(14)20(4,18)19/h5-9,16H,10H2,1-4H3
InChIKeyXBVHXYQHFNNBIN-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.66
Rot. Bonds4

About 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62474218) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID62474218
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(CNc2ccccc2S(C)(=O)=O)c(C)n1C
InChIInChI=1S/C15H20N2O2S/c1-11-9-13(12(2)17(11)3)10-16-14-7-5-6-8-15(14)20(4,18)19/h5-9,16H,10H2,1-4H3
InChIKeyXBVHXYQHFNNBIN-UHFFFAOYSA-N
XLogP2.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline 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-methylsulfonyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43786959
2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473668
2-methyl-3-nitro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62472587
6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473129
4-[(2-methylsulfonylanilino)methyl]benzene-1,3-diol
CID 43724642
3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474567
1-(2-methylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanesulfonamide
CID 110642109
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473316
4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55080855
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475131
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62474218) is 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is Cc1cc(CNc2ccccc2S(C)(=O)=O)c(C)n1C.
What is the InChIKey of 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is XBVHXYQHFNNBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-9-13(12(2)17(11)3)10-16-14-7-5-6-8-15(14)20(4,18)19/h5-9,16H,10H2,1-4H3.
What are the key properties of 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 292.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62474218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).