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

C12H17NO2S — CID 16638534

IUPACN,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCN(CC)C1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C12H17NO2S/c1-3-13(4-2)11-9-16(14,15)12-8-6-5-7-10(11)12/h5-8,11H,3-4,9H2,1-2H3
InChIKeyMAHBPUBCYXNSCS-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.86
Rot. Bonds3

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

N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 16638534) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID16638534
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCN(CC)C1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C12H17NO2S/c1-3-13(4-2)11-9-16(14,15)12-8-6-5-7-10(11)12/h5-8,11H,3-4,9H2,1-2H3
InChIKeyMAHBPUBCYXNSCS-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 16638534) is N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is CCN(CC)C1CS(=O)(=O)c2ccccc21.
What is the InChIKey of N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is MAHBPUBCYXNSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-13(4-2)11-9-16(14,15)12-8-6-5-7-10(11)12/h5-8,11H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 239.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 16638534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).