N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine

C12H17NO2S — CID 117203949

IUPACN-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine
SMILESCNCCc1cccc2c1S(=O)(=O)C(C)C2
InChIInChI=1S/C12H17NO2S/c1-9-8-11-5-3-4-10(6-7-13-2)12(11)16(9,14)15/h3-5,9,13H,6-8H2,1-2H3
InChIKeyPAYTXIVHWIIACG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.17
Rot. Bonds3

About N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine

N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine (PubChem CID 117203949) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine
PubChem CID117203949
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine
SMILESCNCCc1cccc2c1S(=O)(=O)C(C)C2
InChIInChI=1S/C12H17NO2S/c1-9-8-11-5-3-4-10(6-7-13-2)12(11)16(9,14)15/h3-5,9,13H,6-8H2,1-2H3
InChIKeyPAYTXIVHWIIACG-UHFFFAOYSA-N
XLogP1.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117203919
N-methyl-3-(3-methyl-1,1-dioxo-1-benzothiophen-7-yl)propan-1-amine
CID 117205341
N-methyl-3-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)propan-1-amine
CID 117203973
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 43536475
N-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 115463785
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 104547292
2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)acetaldehyde
CID 117202841
N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
CID 117369000

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine (CID 117203949) is N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine is CNCCc1cccc2c1S(=O)(=O)C(C)C2.
What is the InChIKey of N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine?
The InChIKey is PAYTXIVHWIIACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-8-11-5-3-4-10(6-7-13-2)12(11)16(9,14)15/h3-5,9,13H,6-8H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine?
N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine has a molecular weight of 239.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-7-yl)ethanamine is sourced from PubChem (CID 117203949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).