(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C16H20N2O2S — CID 107932583

IUPAC(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1ccc2sc(C(=O)N3CCCC(C)(O)C3)c(N)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-4-5-12-11(8-10)13(17)14(21-12)15(19)18-7-3-6-16(2,20)9-18/h4-5,8,20H,3,6-7,9,17H2,1-2H3
InChIKeyHXRCPNRCVZRUTL-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.78
Rot. Bonds1

About (3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107932583) 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-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID107932583
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1ccc2sc(C(=O)N3CCCC(C)(O)C3)c(N)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-4-5-12-11(8-10)13(17)14(21-12)15(19)18-7-3-6-16(2,20)9-18/h4-5,8,20H,3,6-7,9,17H2,1-2H3
InChIKeyHXRCPNRCVZRUTL-UHFFFAOYSA-N
XLogP2.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 107932463
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 107932579
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107932214
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone
CID 107932238
(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-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358748
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 107932578
(3-amino-5-bromo-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 114896311
(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874812

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 107932583) is (3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is Cc1ccc2sc(C(=O)N3CCCC(C)(O)C3)c(N)c2c1.
What is the InChIKey of (3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is HXRCPNRCVZRUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-4-5-12-11(8-10)13(17)14(21-12)15(19)18-7-3-6-16(2,20)9-18/h4-5,8,20H,3,6-7,9,17H2,1-2H3.
What are the key properties of (3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.78, 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)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107932583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).