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

C15H19N3OS — CID 107932238

IUPAC(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone
SMILESCc1ccc2sc(C(=O)N3CCC(N)CC3)c(N)c2c1
InChIInChI=1S/C15H19N3OS/c1-9-2-3-12-11(8-9)13(17)14(20-12)15(19)18-6-4-10(16)5-7-18/h2-3,8,10H,4-7,16-17H2,1H3
InChIKeyDNDXGMRBWUQMRI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.36
Rot. Bonds1

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

(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone (PubChem CID 107932238) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone
PubChem CID107932238
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone
SMILESCc1ccc2sc(C(=O)N3CCC(N)CC3)c(N)c2c1
InChIInChI=1S/C15H19N3OS/c1-9-2-3-12-11(8-9)13(17)14(20-12)15(19)18-6-4-10(16)5-7-18/h2-3,8,10H,4-7,16-17H2,1H3
InChIKeyDNDXGMRBWUQMRI-UHFFFAOYSA-N
XLogP2.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(hydroxymethyl)piperidin-1-yl]methanone
CID 107932212
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 107932607
(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-dimethylthiomorpholin-4-yl)methanone
CID 107932579
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 107932578
(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-bromo-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114896389
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 107932193
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone (CID 107932238) is (3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone is Cc1ccc2sc(C(=O)N3CCC(N)CC3)c(N)c2c1.
What is the InChIKey of (3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone?
The InChIKey is DNDXGMRBWUQMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-2-3-12-11(8-9)13(17)14(20-12)15(19)18-6-4-10(16)5-7-18/h2-3,8,10H,4-7,16-17H2,1H3.
What are the key properties of (3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone?
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone has a molecular weight of 289.40 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 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)-(4-aminopiperidin-1-yl)methanone is sourced from PubChem (CID 107932238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).