2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline

C11H15N5O2S — CID 61352024

IUPAC2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline
SMILESCc1c(N)cccc1-c1nnnn1CCS(C)(=O)=O
InChIInChI=1S/C11H15N5O2S/c1-8-9(4-3-5-10(8)12)11-13-14-15-16(11)6-7-19(2,17)18/h3-5H,6-7,12H2,1-2H3
InChIKeyVNRHNWNUNYNOFV-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.28
Rot. Bonds4

About 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline

2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline (PubChem CID 61352024) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline
PubChem CID61352024
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline
SMILESCc1c(N)cccc1-c1nnnn1CCS(C)(=O)=O
InChIInChI=1S/C11H15N5O2S/c1-8-9(4-3-5-10(8)12)11-13-14-15-16(11)6-7-19(2,17)18/h3-5H,6-7,12H2,1-2H3
InChIKeyVNRHNWNUNYNOFV-UHFFFAOYSA-N
XLogP0.28
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline (CID 61352024) is 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline is Cc1c(N)cccc1-c1nnnn1CCS(C)(=O)=O.
What is the InChIKey of 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline?
The InChIKey is VNRHNWNUNYNOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8-9(4-3-5-10(8)12)11-13-14-15-16(11)6-7-19(2,17)18/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline?
2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline has a molecular weight of 281.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(2-methylsulfonylethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61352024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).