[1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine

C14H19N3O2S — CID 117182938

IUPAC[1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
SMILESNCc1cccc2c1S(=O)(=O)C(CN1CCNCC1)=C2
InChIInChI=1S/C14H19N3O2S/c15-9-12-3-1-2-11-8-13(20(18,19)14(11)12)10-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9-10,15H2
InChIKeySVWYDIPKRFCHGI-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.18
Rot. Bonds3

About [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine

[1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine (PubChem CID 117182938) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine.

Molecular Properties

Compound Name[1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
PubChem CID117182938
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name[1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
SMILESNCc1cccc2c1S(=O)(=O)C(CN1CCNCC1)=C2
InChIInChI=1S/C14H19N3O2S/c15-9-12-3-1-2-11-8-13(20(18,19)14(11)12)10-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9-10,15H2
InChIKeySVWYDIPKRFCHGI-UHFFFAOYSA-N
XLogP0.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-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

Related Compounds

[1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-5-yl]methanamine
CID 117176065
N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine
CID 117182931
7-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117420237
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117183148
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
2-methyl-7-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117203919
[1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117181198
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
3-bromo-7-(piperazin-1-ylmethyl)-2H-indazole
CID 117475753
1-[[2-(aminomethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 55134887
naphthalen-1-yl-[2-(piperazin-1-ylmethyl)phenyl]methanethiol
CID 22744873

Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The IUPAC name of [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine (CID 117182938) is [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine.
What is the SMILES notation for [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The canonical SMILES for [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine is NCc1cccc2c1S(=O)(=O)C(CN1CCNCC1)=C2.
What is the InChIKey of [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The InChIKey is SVWYDIPKRFCHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-9-12-3-1-2-11-8-13(20(18,19)14(11)12)10-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9-10,15H2.
What are the key properties of [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
[1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine has a molecular weight of 293.39 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine is sourced from PubChem (CID 117182938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).