N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C13H17NO2S — CID 43522825

IUPACN-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NC2CCCC2)c2ccccc21
InChIInChI=1S/C13H17NO2S/c15-17(16)9-12(14-10-5-1-2-6-10)11-7-3-4-8-13(11)17/h3-4,7-8,10,12,14H,1-2,5-6,9H2
InChIKeyAWHQVVLXGRCQHK-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.05
Rot. Bonds2

About N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43522825) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43522825
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NC2CCCC2)c2ccccc21
InChIInChI=1S/C13H17NO2S/c15-17(16)9-12(14-10-5-1-2-6-10)11-7-3-4-8-13(11)17/h3-4,7-8,10,12,14H,1-2,5-6,9H2
InChIKeyAWHQVVLXGRCQHK-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43522825) is N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is O=S1(=O)CC(NC2CCCC2)c2ccccc21.
What is the InChIKey of N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is AWHQVVLXGRCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-17(16)9-12(14-10-5-1-2-6-10)11-7-3-4-8-13(11)17/h3-4,7-8,10,12,14H,1-2,5-6,9H2.
What are the key properties of N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 251.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43522825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).