N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C15H21NO2S — CID 63822577

IUPACN-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC1(CNC2CS(=O)(=O)c3ccccc32)CCCC1
InChIInChI=1S/C15H21NO2S/c1-15(8-4-5-9-15)11-16-13-10-19(17,18)14-7-3-2-6-12(13)14/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyWBJUXZPUXDOJDZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.68
Rot. Bonds3

About N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 63822577) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID63822577
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC1(CNC2CS(=O)(=O)c3ccccc32)CCCC1
InChIInChI=1S/C15H21NO2S/c1-15(8-4-5-9-15)11-16-13-10-19(17,18)14-7-3-2-6-12(13)14/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyWBJUXZPUXDOJDZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 63822577) is N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is CC1(CNC2CS(=O)(=O)c3ccccc32)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is WBJUXZPUXDOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(8-4-5-9-15)11-16-13-10-19(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 N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 63822577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).