N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide

C14H20N2O2S3 — CID 115988359

IUPACN-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide
SMILESCNCc1sc2ccccc2c1S(=O)(=O)N(C)CCSC
InChIInChI=1S/C14H20N2O2S3/c1-15-10-13-14(11-6-4-5-7-12(11)20-13)21(17,18)16(2)8-9-19-3/h4-7,15H,8-10H2,1-3H3
InChIKeyQJFATPXEYAQYGN-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.60
Rot. Bonds7

About N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide

N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide (PubChem CID 115988359) has the molecular formula C14H20N2O2S3 and a molecular weight of 344.53 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide
PubChem CID115988359
Molecular FormulaC14H20N2O2S3
Molecular Weight344.53 g/mol
Exact Mass344.07
IUPAC NameN-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide
SMILESCNCc1sc2ccccc2c1S(=O)(=O)N(C)CCSC
InChIInChI=1S/C14H20N2O2S3/c1-15-10-13-14(11-6-4-5-7-12(11)20-13)21(17,18)16(2)8-9-19-3/h4-7,15H,8-10H2,1-3H3
InChIKeyQJFATPXEYAQYGN-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide (CID 115988359) is N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide is CNCc1sc2ccccc2c1S(=O)(=O)N(C)CCSC.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide?
The InChIKey is QJFATPXEYAQYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S3/c1-15-10-13-14(11-6-4-5-7-12(11)20-13)21(17,18)16(2)8-9-19-3/h4-7,15H,8-10H2,1-3H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide?
N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide has a molecular weight of 344.53 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylethyl)-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 115988359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).