1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine

C15H21NO2S — CID 55107032

IUPAC1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1(C2CS(=O)(=O)c3ccccc32)CCCC1
InChIInChI=1S/C15H21NO2S/c1-16-11-15(8-4-5-9-15)13-10-19(17,18)14-7-3-2-6-12(13)14/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyPAOMONROOWRKEG-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.34
Rot. Bonds3

About 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine

1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine (PubChem CID 55107032) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine
PubChem CID55107032
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1(C2CS(=O)(=O)c3ccccc32)CCCC1
InChIInChI=1S/C15H21NO2S/c1-16-11-15(8-4-5-9-15)13-10-19(17,18)14-7-3-2-6-12(13)14/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyPAOMONROOWRKEG-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine (CID 55107032) is 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine is CNCC1(C2CS(=O)(=O)c3ccccc32)CCCC1.
What is the InChIKey of 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine?
The InChIKey is PAOMONROOWRKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-16-11-15(8-4-5-9-15)13-10-19(17,18)14-7-3-2-6-12(13)14/h2-3,6-7,13,16H,4-5,8-11H2,1H3.
What are the key properties of 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine?
1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine has a molecular weight of 279.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 55107032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).