[1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine

C15H20N2O2S — CID 117181198

IUPAC[1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
SMILESNCc1cccc2c1S(=O)(=O)C=C2CN1CCCCC1
InChIInChI=1S/C15H20N2O2S/c16-9-12-5-4-6-14-13(11-20(18,19)15(12)14)10-17-7-2-1-3-8-17/h4-6,11H,1-3,7-10,16H2
InChIKeyQAHNDPQCECAIDX-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.76
Rot. Bonds3

About [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine

[1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine (PubChem CID 117181198) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine.

Molecular Properties

Compound Name[1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
PubChem CID117181198
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name[1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
SMILESNCc1cccc2c1S(=O)(=O)C=C2CN1CCCCC1
InChIInChI=1S/C15H20N2O2S/c16-9-12-5-4-6-14-13(11-20(18,19)15(12)14)10-17-7-2-1-3-8-17/h4-6,11H,1-3,7-10,16H2
InChIKeyQAHNDPQCECAIDX-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
CID 16793650
[3-(pyrrolidin-1-ylmethyl)-1H-indol-7-yl]methanamine
CID 84692922
[3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine
CID 117171053
[1-methyl-3-(piperidin-1-ylmethyl)indol-4-yl]methanamine
CID 117171054
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059
[1,1-dioxo-2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117182938
2-(azocan-1-ylmethyl)-6-nitroaniline
CID 107350754
2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
CID 139958917
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
7-(aminomethyl)-1,1-dioxo-1λ6,2-benzodithiol-3-one
CID 46187089
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
1-[(2-chlorophenyl)methyl]azepane
CID 17017924

Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The IUPAC name of [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine (CID 117181198) is [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine.
What is the SMILES notation for [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The canonical SMILES for [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine is NCc1cccc2c1S(=O)(=O)C=C2CN1CCCCC1.
What is the InChIKey of [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The InChIKey is QAHNDPQCECAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-9-12-5-4-6-14-13(11-20(18,19)15(12)14)10-17-7-2-1-3-8-17/h4-6,11H,1-3,7-10,16H2.
What are the key properties of [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
[1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine has a molecular weight of 292.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-3-(piperidin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine is sourced from PubChem (CID 117181198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).