6-methoxy-2-nitro-1-benzothiophen-3-amine

C9H8N2O3S — CID 19800047

IUPAC6-methoxy-2-nitro-1-benzothiophen-3-amine
SMILESCOc1ccc2c(N)c([N+](=O)[O-])sc2c1
InChIInChI=1S/C9H8N2O3S/c1-14-5-2-3-6-7(4-5)15-9(8(6)10)11(12)13/h2-4H,10H2,1H3
InChIKeyQYERQLWOGARYKE-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.40
Rot. Bonds2

About 6-methoxy-2-nitro-1-benzothiophen-3-amine

6-methoxy-2-nitro-1-benzothiophen-3-amine (PubChem CID 19800047) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 6-methoxy-2-nitro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-methoxy-2-nitro-1-benzothiophen-3-amine
PubChem CID19800047
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name6-methoxy-2-nitro-1-benzothiophen-3-amine
SMILESCOc1ccc2c(N)c([N+](=O)[O-])sc2c1
InChIInChI=1S/C9H8N2O3S/c1-14-5-2-3-6-7(4-5)15-9(8(6)10)11(12)13/h2-4H,10H2,1H3
InChIKeyQYERQLWOGARYKE-UHFFFAOYSA-N
XLogP2.40
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
7-methoxy-2-nitro-1-benzothiophen-3-amine
CID 19800078
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81300975
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674329
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 81300326
3-amino-N,N-bis(cyanomethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300692
3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81309556
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide
CID 81302007
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 81301398
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301247
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301246

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-nitro-1-benzothiophen-3-amine?
The IUPAC name of 6-methoxy-2-nitro-1-benzothiophen-3-amine (CID 19800047) is 6-methoxy-2-nitro-1-benzothiophen-3-amine.
What is the SMILES notation for 6-methoxy-2-nitro-1-benzothiophen-3-amine?
The canonical SMILES for 6-methoxy-2-nitro-1-benzothiophen-3-amine is COc1ccc2c(N)c([N+](=O)[O-])sc2c1.
What is the InChIKey of 6-methoxy-2-nitro-1-benzothiophen-3-amine?
The InChIKey is QYERQLWOGARYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-14-5-2-3-6-7(4-5)15-9(8(6)10)11(12)13/h2-4H,10H2,1H3.
What are the key properties of 6-methoxy-2-nitro-1-benzothiophen-3-amine?
6-methoxy-2-nitro-1-benzothiophen-3-amine has a molecular weight of 224.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-nitro-1-benzothiophen-3-amine is sourced from PubChem (CID 19800047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).