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

C16H20N2OS2 — CID 107932578

IUPAC(3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2sc3ccc(C)cc3c2N)CCS1
InChIInChI=1S/C16H20N2OS2/c1-3-11-9-18(6-7-20-11)16(19)15-14(17)12-8-10(2)4-5-13(12)21-15/h4-5,8,11H,3,6-7,9,17H2,1-2H3
InChIKeyVPQSMTGORXVKRV-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.76
Rot. Bonds2

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

(3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone (PubChem CID 107932578) 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-ethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
PubChem CID107932578
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name(3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2sc3ccc(C)cc3c2N)CCS1
InChIInChI=1S/C16H20N2OS2/c1-3-11-9-18(6-7-20-11)16(19)15-14(17)12-8-10(2)4-5-13(12)21-15/h4-5,8,11H,3,6-7,9,17H2,1-2H3
InChIKeyVPQSMTGORXVKRV-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Related Compounds

(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107932212
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone
CID 107932238
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 107932579
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 107932607
(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)-(3,3-dimethylpiperidin-1-yl)methanone
CID 107932395
(3-aminophenyl)-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791768
(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-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107932583
(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-methylmorpholin-4-yl)methanone
CID 107932193
(2-ethylthiomorpholin-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 115661644

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone (CID 107932578) is (3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone is CCC1CN(C(=O)c2sc3ccc(C)cc3c2N)CCS1.
What is the InChIKey of (3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone?
The InChIKey is VPQSMTGORXVKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-3-11-9-18(6-7-20-11)16(19)15-14(17)12-8-10(2)4-5-13(12)21-15/h4-5,8,11H,3,6-7,9,17H2,1-2H3.
What are the key properties of (3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone?
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone has a molecular weight of 320.48 g/mol, XLogP of 3.76, 2 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-ethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 107932578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).