(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone

C16H20N2OS2 — CID 107113136

IUPAC(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCc1cccc2c(N)c(C(=O)N3CC(C)SC(C)C3)sc12
InChIInChI=1S/C16H20N2OS2/c1-9-5-4-6-12-13(17)15(21-14(9)12)16(19)18-7-10(2)20-11(3)8-18/h4-6,10-11H,7-8,17H2,1-3H3
InChIKeyRHEDXXPXTBLOPN-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.76
Rot. Bonds1

About (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone

(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone (PubChem CID 107113136) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
PubChem CID107113136
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
SMILESCc1cccc2c(N)c(C(=O)N3CC(C)SC(C)C3)sc12
InChIInChI=1S/C16H20N2OS2/c1-9-5-4-6-12-13(17)15(21-14(9)12)16(19)18-7-10(2)20-11(3)8-18/h4-6,10-11H,7-8,17H2,1-3H3
InChIKeyRHEDXXPXTBLOPN-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone (CID 107113136) is (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone is Cc1cccc2c(N)c(C(=O)N3CC(C)SC(C)C3)sc12.
What is the InChIKey of (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is RHEDXXPXTBLOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-9-5-4-6-12-13(17)15(21-14(9)12)16(19)18-7-10(2)20-11(3)8-18/h4-6,10-11H,7-8,17H2,1-3H3.
What are the key properties of (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone?
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 320.48 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 107113136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).