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

C8H9NO2S — CID 43522883

IUPAC1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESNC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9NO2S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4,7H,5,9H2
InChIKeyHKQBTGLZBNDHLG-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.47
Rot. Bonds

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

1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43522883) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43522883
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESNC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9NO2S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4,7H,5,9H2
InChIKeyHKQBTGLZBNDHLG-UHFFFAOYSA-N
XLogP0.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methanesulfonylphenyl)methanamine
CID 16218335
N-(3,4-dihydro-2H-thiochromen-4-yl)benzenesulfonamide
CID 16306134
N-benzyltetrahydrothiophen-3-amine 1,1-dioxide
CID 2896541
1-(4-(Methylsulfonyl)phenyl)propan-2-amine
CID 10890308
1-(4-(Methylsulfonyl)phenyl)ethanamine
CID 2736900
1-[4-(Ethylsulfonyl)phenyl]methanamine
CID 17966626
2,3-Dihydro-1-benzothiophen-3-amine
CID 43539109
3,4-dihydro-2H-thiochromen-4-amine
CID 85921
(Phenylethyl)(2-thienylsulfonyl)amine
CID 2880499
(S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
CID 10086234
3-(Aminomethyl)-2,3-dihydro-1lambda6-benzothiophene-1,1-dione
CID 43522999
2-(Methanesulfonyl)benzylamine hydrochloride
CID 16218334

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43522883) is 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is NC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is HKQBTGLZBNDHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4,7H,5,9H2.
What are the key properties of 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 183.23 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43522883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).