(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C15H18N2O2S — CID 102970975

IUPAC(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sc3ccccc3c2N)CC1O
InChIInChI=1S/C15H18N2O2S/c1-9-6-7-17(8-11(9)18)15(19)14-13(16)10-4-2-3-5-12(10)20-14/h2-5,9,11,18H,6-8,16H2,1H3
InChIKeyHMKOBFQBBQKAKR-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.33
Rot. Bonds1

About (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102970975) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102970975
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sc3ccccc3c2N)CC1O
InChIInChI=1S/C15H18N2O2S/c1-9-6-7-17(8-11(9)18)15(19)14-13(16)10-4-2-3-5-12(10)20-14/h2-5,9,11,18H,6-8,16H2,1H3
InChIKeyHMKOBFQBBQKAKR-UHFFFAOYSA-N
XLogP2.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102970960
(3-amino-6-bromo-1-benzothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 114908158
(3-hydroxypyrrolidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 62916236
(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 107112894
(3-hydroxyazetidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 63106231
(2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954888
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
(3-amino-6-bromo-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 114907655
3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 107421061
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062903
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062901

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102970975) is (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2sc3ccccc3c2N)CC1O.
What is the InChIKey of (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is HMKOBFQBBQKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-6-7-17(8-11(9)18)15(19)14-13(16)10-4-2-3-5-12(10)20-14/h2-5,9,11,18H,6-8,16H2,1H3.
What are the key properties of (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102970975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).