N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine

C15H20N2O2S — CID 117182931

IUPACN-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine
SMILESNCc1cccc2c1S(=O)(=O)C(CNC1CCCC1)=C2
InChIInChI=1S/C15H20N2O2S/c16-9-12-5-3-4-11-8-14(20(18,19)15(11)12)10-17-13-6-1-2-7-13/h3-5,8,13,17H,1-2,6-7,9-10,16H2
InChIKeySAJYTHFGYYDWED-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.81
Rot. Bonds4

About N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine

N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine (PubChem CID 117182931) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine
PubChem CID117182931
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine
SMILESNCc1cccc2c1S(=O)(=O)C(CNC1CCCC1)=C2
InChIInChI=1S/C15H20N2O2S/c16-9-12-5-3-4-11-8-14(20(18,19)15(11)12)10-17-13-6-1-2-7-13/h3-5,8,13,17H,1-2,6-7,9-10,16H2
InChIKeySAJYTHFGYYDWED-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine (CID 117182931) is N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine is NCc1cccc2c1S(=O)(=O)C(CNC1CCCC1)=C2.
What is the InChIKey of N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine?
The InChIKey is SAJYTHFGYYDWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-9-12-5-3-4-11-8-14(20(18,19)15(11)12)10-17-13-6-1-2-7-13/h3-5,8,13,17H,1-2,6-7,9-10,16H2.
What are the key properties of N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine?
N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine has a molecular weight of 292.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 117182931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).