5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline

C13H19NS — CID 146618111

IUPAC5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline
SMILESCSC(C)CC1CCCc2cnccc21
InChIInChI=1S/C13H19NS/c1-10(15-2)8-11-4-3-5-12-9-14-7-6-13(11)12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyZNJFCUQQWSVBJC-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.64
Rot. Bonds3

About 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline

5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 146618111) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID146618111
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline
SMILESCSC(C)CC1CCCc2cnccc21
InChIInChI=1S/C13H19NS/c1-10(15-2)8-11-4-3-5-12-9-14-7-6-13(11)12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyZNJFCUQQWSVBJC-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine
CID 143716647
(5S)-5-chloro-5,6,7,8-tetrahydroisoquinoline
CID 124706971
actinium;[(5R)-5,6,7,8-tetrahydroisoquinolin-5-yl]azanide
CID 59074393
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine
CID 63772799
ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 170960546
1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106966
(5R)-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 92845053
6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 12042863
7-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinoline
CID 169193360
[1-(5,6,7,8-tetrahydroisoquinolin-5-yl)pyrazol-4-yl]boronic acid
CID 155713956
(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine
CID 92846477

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline (CID 146618111) is 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline is CSC(C)CC1CCCc2cnccc21.
What is the InChIKey of 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is ZNJFCUQQWSVBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10(15-2)8-11-4-3-5-12-9-14-7-6-13(11)12/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline?
5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 221.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylpropyl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 146618111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).