N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H22N2OS — CID 115734396

IUPACN-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCSC(C)(C)CNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2OS/c1-15(2,19-3)10-17-14(18)13-8-11-6-4-5-7-12(11)9-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyABFPSXLQWZVXMO-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.96
Rot. Bonds4

About N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 115734396) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID115734396
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCSC(C)(C)CNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2OS/c1-15(2,19-3)10-17-14(18)13-8-11-6-4-5-7-12(11)9-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyABFPSXLQWZVXMO-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61250382
N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103795639
(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106148540
(3S)-N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106176629
(3R)-N-(2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113466541
N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55174369
(3S)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 95034741
N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103796884
3-methyl-2-[[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]methyl]butanoic acid
CID 65224076
(3R)-N-(3-methylbut-2-enyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 114155622
(3S)-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40555754
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 115734396) is N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CSC(C)(C)CNC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ABFPSXLQWZVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-15(2,19-3)10-17-14(18)13-8-11-6-4-5-7-12(11)9-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 115734396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).