1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine

C12H15NO2S2 — CID 105021997

IUPAC1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1cccc2ccsc12)S(C)(=O)=O
InChIInChI=1S/C12H15NO2S2/c1-8(17(2,14)15)11(13)10-5-3-4-9-6-7-16-12(9)10/h3-8,11H,13H2,1-2H3
InChIKeyRQOPLZMOOLLSHA-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.33
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine

1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine (PubChem CID 105021997) has the molecular formula C12H15NO2S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine
PubChem CID105021997
Molecular FormulaC12H15NO2S2
Molecular Weight269.39 g/mol
Exact Mass269.05
IUPAC Name1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1cccc2ccsc12)S(C)(=O)=O
InChIInChI=1S/C12H15NO2S2/c1-8(17(2,14)15)11(13)10-5-3-4-9-6-7-16-12(9)10/h3-8,11H,13H2,1-2H3
InChIKeyRQOPLZMOOLLSHA-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
CID 105022064
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
[1-(1-benzothiophen-7-yl)-2-methylpropyl]hydrazine
CID 105199493
2-(1-benzothiophen-7-yl)-3-methylbutanoic acid
CID 81147123
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116722960
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
7-(4-bromopentan-2-yl)-1-benzothiophene
CID 81148326
[1-(1-benzothiophen-7-yl)-2-methoxypropyl]hydrazine
CID 105246859
1-benzothiophen-7-yl-(4-bromophenyl)methanamine
CID 81153674
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793
methyl 2-(1-benzothiophen-7-yl)butanoate
CID 81147486
1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032936

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine (CID 105021997) is 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine is CC(C(N)c1cccc2ccsc12)S(C)(=O)=O.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine?
The InChIKey is RQOPLZMOOLLSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S2/c1-8(17(2,14)15)11(13)10-5-3-4-9-6-7-16-12(9)10/h3-8,11H,13H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine?
1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105021997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).