N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine

C14H20N2O2S — CID 43522991

IUPACN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2CS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C14H20N2O2S/c1-16-8-6-11(7-9-16)15-13-10-19(17,18)14-5-3-2-4-12(13)14/h2-5,11,13,15H,6-10H2,1H3
InChIKeyBQZZOEWCMAKZEU-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.20
Rot. Bonds2

About N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine (PubChem CID 43522991) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine
PubChem CID43522991
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2CS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C14H20N2O2S/c1-16-8-6-11(7-9-16)15-13-10-19(17,18)14-5-3-2-4-12(13)14/h2-5,11,13,15H,6-10H2,1H3
InChIKeyBQZZOEWCMAKZEU-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine (CID 43522991) is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine is CN1CCC(NC2CS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine?
The InChIKey is BQZZOEWCMAKZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16-8-6-11(7-9-16)15-13-10-19(17,18)14-5-3-2-4-12(13)14/h2-5,11,13,15H,6-10H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine?
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine has a molecular weight of 280.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 43522991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).