N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine

C11H13NO2S — CID 117184731

IUPACN-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine
SMILESCNCC1=Cc2c(C)cccc2S1(=O)=O
InChIInChI=1S/C11H13NO2S/c1-8-4-3-5-11-10(8)6-9(7-12-2)15(11,13)14/h3-6,12H,7H2,1-2H3
InChIKeyXWGMMZHCLNLPBO-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.34
Rot. Bonds2

About N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine

N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine (PubChem CID 117184731) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine
PubChem CID117184731
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC NameN-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine
SMILESCNCC1=Cc2c(C)cccc2S1(=O)=O
InChIInChI=1S/C11H13NO2S/c1-8-4-3-5-11-10(8)6-9(7-12-2)15(11,13)14/h3-6,12H,7H2,1-2H3
InChIKeyXWGMMZHCLNLPBO-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine (CID 117184731) is N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine is CNCC1=Cc2c(C)cccc2S1(=O)=O.
What is the InChIKey of N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine?
The InChIKey is XWGMMZHCLNLPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8-4-3-5-11-10(8)6-9(7-12-2)15(11,13)14/h3-6,12H,7H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine?
N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine has a molecular weight of 223.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 117184731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).