N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine

C14H22N2S — CID 112660760

IUPACN-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
SMILESCSCCN(C)CC1Cc2ccccc2CN1
InChIInChI=1S/C14H22N2S/c1-16(7-8-17-2)11-14-9-12-5-3-4-6-13(12)10-15-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyMIHPETAOPCQICI-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.00
Rot. Bonds5

About N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine

N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine (PubChem CID 112660760) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
PubChem CID112660760
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
SMILESCSCCN(C)CC1Cc2ccccc2CN1
InChIInChI=1S/C14H22N2S/c1-16(7-8-17-2)11-14-9-12-5-3-4-6-13(12)10-15-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyMIHPETAOPCQICI-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 10822718
(3S)-3-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 67709513
2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine
CID 103189516
1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine
CID 54946640
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
CID 156592430
3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 71381550
(3S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 100971194
(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59084899
(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59639486
(3S)-3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 169157167
1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213978
3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105494994

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine (CID 112660760) is N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine is CSCCN(C)CC1Cc2ccccc2CN1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine?
The InChIKey is MIHPETAOPCQICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16(7-8-17-2)11-14-9-12-5-3-4-6-13(12)10-15-14/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine?
N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine is sourced from PubChem (CID 112660760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).