N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C14H20N2OS — CID 112658883

IUPACN-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCSCCN(C)C(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C14H20N2OS/c1-16(7-8-18-2)14(17)12-4-3-11-5-6-15-10-13(11)9-12/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyNXQNNDOKSYPGCT-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 112658883) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID112658883
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCSCCN(C)C(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C14H20N2OS/c1-16(7-8-18-2)14(17)12-4-3-11-5-6-15-10-13(11)9-12/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyNXQNNDOKSYPGCT-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999072
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
N-(2-cyanoethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997858
2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 112658883) is N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CSCCN(C)C(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is NXQNNDOKSYPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16(7-8-18-2)14(17)12-4-3-11-5-6-15-10-13(11)9-12/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 112658883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).