N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine

C7H11NO2S2 — CID 68908348

IUPACN-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine
SMILESCNCc1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C7H11NO2S2/c1-8-5-6-3-4-7(11-6)12(2,9)10/h3-4,8H,5H2,1-2H3
InChIKeyVQFOJFITZGHQCP-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.87
Rot. Bonds3

About N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine

N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine (PubChem CID 68908348) has the molecular formula C7H11NO2S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine
PubChem CID68908348
Molecular FormulaC7H11NO2S2
Molecular Weight205.30 g/mol
Exact Mass205.02
IUPAC NameN-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine
SMILESCNCc1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C7H11NO2S2/c1-8-5-6-3-4-7(11-6)12(2,9)10/h3-4,8H,5H2,1-2H3
InChIKeyVQFOJFITZGHQCP-UHFFFAOYSA-N
XLogP0.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine 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 N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine (CID 68908348) is N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine is CNCc1ccc(S(C)(=O)=O)s1.
What is the InChIKey of N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine?
The InChIKey is VQFOJFITZGHQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S2/c1-8-5-6-3-4-7(11-6)12(2,9)10/h3-4,8H,5H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine?
N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine is sourced from PubChem (CID 68908348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).