(3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone

C15H15NOS — CID 116549723

IUPAC(3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESCc1ccsc1C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H15NOS/c1-10-6-7-18-15(10)14(17)13-8-11-4-2-3-5-12(11)9-16-13/h2-7,13,16H,8-9H2,1H3
InChIKeyGJPINOVNOQMGAS-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.95
Rot. Bonds2

About (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone

(3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (PubChem CID 116549723) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
PubChem CID116549723
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESCc1ccsc1C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H15NOS/c1-10-6-7-18-15(10)14(17)13-8-11-4-2-3-5-12(11)9-16-13/h2-7,13,16H,8-9H2,1H3
InChIKeyGJPINOVNOQMGAS-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896435
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
N-methyl-N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 60964201
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
CID 79991091
N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119267102
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
2,3-dihydro-1H-inden-1-yl-(3-methylthiophen-2-yl)methanone
CID 79991196
(5-chlorothiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549697
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549786
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The IUPAC name of (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (CID 116549723) is (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is Cc1ccsc1C(=O)C1Cc2ccccc2CN1.
What is the InChIKey of (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The InChIKey is GJPINOVNOQMGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-6-7-18-15(10)14(17)13-8-11-4-2-3-5-12(11)9-16-13/h2-7,13,16H,8-9H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
(3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone has a molecular weight of 257.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is sourced from PubChem (CID 116549723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).