2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C15H21ClN2OS — CID 119562129

IUPAC2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2Cc3ccccc3S2)CC1.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-16-12-6-8-17(9-7-12)15(18)14-10-11-4-2-3-5-13(11)19-14;/h2-5,12,14,16H,6-10H2,1H3;1H
InChIKeyCIRASIDTMSRXBQ-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.34
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119562129) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119562129
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2Cc3ccccc3S2)CC1.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-16-12-6-8-17(9-7-12)15(18)14-10-11-4-2-3-5-13(11)19-14;/h2-5,12,14,16H,6-10H2,1H3;1H
InChIKeyCIRASIDTMSRXBQ-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide
CID 557617
N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide
CID 4518969
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide
CID 44411584
2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide
CID 44411913
2-amino-2-methyl-N-[(2R)-1-oxo-1-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide;hydrochloride
CID 45259485
2-amino-N-[(2R)-4-cyclohexyl-1-oxo-1-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butan-2-yl]-2-methylpropanamide;hydrochloride
CID 45259496
2-amino-N-[(2R)-4-cyclohexyl-1-oxo-1-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutan-2-yl]-2-methylpropanamide;hydrochloride
CID 45263992
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride
CID 45264076
2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride
CID 45264123
2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 4057069
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42897681
3-(1-methylpiperidin-2-yl)-N-[2-(3-methyl-2-thienyl)ethyl]propanamide
CID 50976292

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119562129) is 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2Cc3ccccc3S2)CC1.Cl.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is CIRASIDTMSRXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.ClH/c1-16-12-6-8-17(9-7-12)15(18)14-10-11-4-2-3-5-13(11)19-14;/h2-5,12,14,16H,6-10H2,1H3;1H.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 312.87 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119562129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).