(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone

C16H20N2OS2 — CID 107932579

IUPAC(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone
SMILESCc1ccc2sc(C(=O)N3CCSC(C)(C)C3)c(N)c2c1
InChIInChI=1S/C16H20N2OS2/c1-10-4-5-12-11(8-10)13(17)14(21-12)15(19)18-6-7-20-16(2,3)9-18/h4-5,8H,6-7,9,17H2,1-3H3
InChIKeyLALRIBVJBNJTNK-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.76
Rot. Bonds1

About (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone

(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone (PubChem CID 107932579) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone
PubChem CID107932579
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone
SMILESCc1ccc2sc(C(=O)N3CCSC(C)(C)C3)c(N)c2c1
InChIInChI=1S/C16H20N2OS2/c1-10-4-5-12-11(8-10)13(17)14(21-12)15(19)18-6-7-20-16(2,3)9-18/h4-5,8H,6-7,9,17H2,1-3H3
InChIKeyLALRIBVJBNJTNK-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

Analyze (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-5-methyl-1-benzothiophen-2-yl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 107932395
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107932214
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107932583
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 107932463
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone
CID 107932238
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 107932578
(2-bromo-4-methylphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113337887
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 107932607
(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107932212
(3-amino-5-methyl-1-benzothiophen-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 107932603
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 107932193
3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
CID 107932493

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone (CID 107932579) is (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone is Cc1ccc2sc(C(=O)N3CCSC(C)(C)C3)c(N)c2c1.
What is the InChIKey of (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is LALRIBVJBNJTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-10-4-5-12-11(8-10)13(17)14(21-12)15(19)18-6-7-20-16(2,3)9-18/h4-5,8H,6-7,9,17H2,1-3H3.
What are the key properties of (3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone?
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-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-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 107932579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).