2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine

C11H12ClNO2S — CID 117195882

IUPAC2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNCCC1=Cc2ccc(Cl)cc2S1(=O)=O
InChIInChI=1S/C11H12ClNO2S/c1-13-5-4-10-6-8-2-3-9(12)7-11(8)16(10,14)15/h2-3,6-7,13H,4-5H2,1H3
InChIKeyFOVYQUVRYJISMT-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.08
Rot. Bonds3

About 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine

2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 117195882) has the molecular formula C11H12ClNO2S and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID117195882
Molecular FormulaC11H12ClNO2S
Molecular Weight257.74 g/mol
Exact Mass257.03
IUPAC Name2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNCCC1=Cc2ccc(Cl)cc2S1(=O)=O
InChIInChI=1S/C11H12ClNO2S/c1-13-5-4-10-6-8-2-3-9(12)7-11(8)16(10,14)15/h2-3,6-7,13H,4-5H2,1H3
InChIKeyFOVYQUVRYJISMT-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 117195887
2-(6-methoxy-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196017
(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)methanethiol
CID 117179652
N-[(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)methyl]butan-1-amine
CID 19429650
2-(4-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117194411
N-[(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 19429658
(5-chloro-1,1-dioxo-1-benzothiophen-2-yl)methanol
CID 117121311
3-(6-chloro-1,1-dioxo-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117196248
5-chloro-2-(methylsulfonylmethyl)-1-benzothiophene 1,1-dioxide
CID 117176148
2-[(4-methylphenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117179595
N-methyl-1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine
CID 117185277
5-chloro-2-(pyrrolidin-1-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 117176118

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine (CID 117195882) is 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine is CNCCC1=Cc2ccc(Cl)cc2S1(=O)=O.
What is the InChIKey of 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is FOVYQUVRYJISMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2S/c1-13-5-4-10-6-8-2-3-9(12)7-11(8)16(10,14)15/h2-3,6-7,13H,4-5H2,1H3.
What are the key properties of 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine?
2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 257.74 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 117195882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).