(2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid

C11H15ClN2O3S — CID 17385282

IUPAC(2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid
SMILESCS(=O)(=O)O.Cn1c(Cl)c(CN)c2ccccc21
InChIInChI=1S/C10H11ClN2.CH4O3S/c1-13-9-5-3-2-4-7(9)8(6-12)10(13)11;1-5(2,3)4/h2-5H,6,12H2,1H3;1H3,(H,2,3,4)
InChIKeyIKUFFBZNQXZRFL-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.79
Rot. Bonds1

About (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid

(2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid (PubChem CID 17385282) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid.

Molecular Properties

Compound Name(2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid
PubChem CID17385282
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name(2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid
SMILESCS(=O)(=O)O.Cn1c(Cl)c(CN)c2ccccc21
InChIInChI=1S/C10H11ClN2.CH4O3S/c1-13-9-5-3-2-4-7(9)8(6-12)10(13)11;1-5(2,3)4/h2-5H,6,12H2,1H3;1H3,(H,2,3,4)
InChIKeyIKUFFBZNQXZRFL-UHFFFAOYSA-N
XLogP1.79
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid 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-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 170892703
ethyl 2-amino-3-(2-chloro-1-methylindol-3-yl)propanoate
CID 170884911
3-(2-amino-2-oxoethyl)-1-methylindole-2-carboxylic acid
CID 12826450
1-methyl-3-methylsulfonyl-2-phenylindole
CID 102275352
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782446
2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
CID 10804691
1-methyl-2,3-bis(methylsulfonyl)indole
CID 15113358
[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine
CID 22689319

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid?
The IUPAC name of (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid (CID 17385282) is (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid.
What is the SMILES notation for (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid?
The canonical SMILES for (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid is CS(=O)(=O)O.Cn1c(Cl)c(CN)c2ccccc21.
What is the InChIKey of (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid?
The InChIKey is IKUFFBZNQXZRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2.CH4O3S/c1-13-9-5-3-2-4-7(9)8(6-12)10(13)11;1-5(2,3)4/h2-5H,6,12H2,1H3;1H3,(H,2,3,4).
What are the key properties of (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid?
(2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid has a molecular weight of 290.77 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid is sourced from PubChem (CID 17385282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).