(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C16H20N2O2S — CID 107932212

IUPAC(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc2sc(C(=O)N3CCCC(CO)C3)c(N)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-4-5-13-12(7-10)14(17)15(21-13)16(20)18-6-2-3-11(8-18)9-19/h4-5,7,11,19H,2-3,6,8-9,17H2,1H3
InChIKeyVLTXEYARPPMYLI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.64
Rot. Bonds2

About (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 107932212) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID107932212
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc2sc(C(=O)N3CCCC(CO)C3)c(N)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-4-5-13-12(7-10)14(17)15(21-13)16(20)18-6-2-3-11(8-18)9-19/h4-5,7,11,19H,2-3,6,8-9,17H2,1H3
InChIKeyVLTXEYARPPMYLI-UHFFFAOYSA-N
XLogP2.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 107932607
(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
(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)-(3,3-dimethylpiperidin-1-yl)methanone
CID 107932395
(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114888993
(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403203
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107932583
(3-amino-5-bromo-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114896389
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 107932463
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 107932212) is (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1ccc2sc(C(=O)N3CCCC(CO)C3)c(N)c2c1.
What is the InChIKey of (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is VLTXEYARPPMYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-4-5-13-12(7-10)14(17)15(21-13)16(20)18-6-2-3-11(8-18)9-19/h4-5,7,11,19H,2-3,6,8-9,17H2,1H3.
What are the key properties of (3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 304.42 g/mol, XLogP of 2.64, 2 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)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107932212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).