N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C14H19NO2S — CID 43522988

IUPACN-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NCC2CCCC2)c2ccccc21
InChIInChI=1S/C14H19NO2S/c16-18(17)10-13(12-7-3-4-8-14(12)18)15-9-11-5-1-2-6-11/h3-4,7-8,11,13,15H,1-2,5-6,9-10H2
InChIKeyRRUQNYPDGYIYGR-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.29
Rot. Bonds3

About N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43522988) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43522988
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NCC2CCCC2)c2ccccc21
InChIInChI=1S/C14H19NO2S/c16-18(17)10-13(12-7-3-4-8-14(12)18)15-9-11-5-1-2-6-11/h3-4,7-8,11,13,15H,1-2,5-6,9-10H2
InChIKeyRRUQNYPDGYIYGR-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43522988) is N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is O=S1(=O)CC(NCC2CCCC2)c2ccccc21.
What is the InChIKey of N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is RRUQNYPDGYIYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-18(17)10-13(12-7-3-4-8-14(12)18)15-9-11-5-1-2-6-11/h3-4,7-8,11,13,15H,1-2,5-6,9-10H2.
What are the key properties of N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 265.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43522988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).