7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine

C12H17NO2S — CID 82238176

IUPAC7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1CS(=O)c2c(OC)cccc21
InChIInChI=1S/C12H17NO2S/c1-3-7-13-10-8-16(14)12-9(10)5-4-6-11(12)15-2/h4-6,10,13H,3,7-8H2,1-2H3
InChIKeySXADPCZAXNQEEQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.86
Rot. Bonds4

About 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine

7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 82238176) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID82238176
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1CS(=O)c2c(OC)cccc21
InChIInChI=1S/C12H17NO2S/c1-3-7-13-10-8-16(14)12-9(10)5-4-6-11(12)15-2/h4-6,10,13H,3,7-8H2,1-2H3
InChIKeySXADPCZAXNQEEQ-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-7-fluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
CID 82234882
8-bromo-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289511
8-fluoro-2-methyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61289304
3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356722
1-oxo-N-propyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine
CID 114992840
8-methoxy-3,3-dimethyl-N-propyl-1,4-dihydroisothiochromen-4-amine
CID 82887047
N-ethyl-8-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288732
8-methoxy-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356884
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
7-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511879
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116811557

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine (CID 82238176) is 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine is CCCNC1CS(=O)c2c(OC)cccc21.
What is the InChIKey of 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is SXADPCZAXNQEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-7-13-10-8-16(14)12-9(10)5-4-6-11(12)15-2/h4-6,10,13H,3,7-8H2,1-2H3.
What are the key properties of 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 239.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-oxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 82238176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).