2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline

C13H19NS — CID 115104451

IUPAC2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)SCC1CCc2ccccc2N1
InChIInChI=1S/C13H19NS/c1-10(2)15-9-12-8-7-11-5-3-4-6-13(11)14-12/h3-6,10,12,14H,7-9H2,1-2H3
InChIKeyQPVTYUPLDSSTHO-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.55
Rot. Bonds3

About 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline

2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 115104451) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID115104451
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)SCC1CCc2ccccc2N1
InChIInChI=1S/C13H19NS/c1-10(2)15-9-12-8-7-11-5-3-4-6-13(11)14-12/h3-6,10,12,14H,7-9H2,1-2H3
InChIKeyQPVTYUPLDSSTHO-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2-methyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propan-1-amine
CID 105473267
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
1,1-dichloro-3-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-one
CID 54269728
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
CID 106779766
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955352
tert-butyl-dimethyl-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methoxy]silane
CID 132820205
2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline
CID 138966764
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline (CID 115104451) is 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline is CC(C)SCC1CCc2ccccc2N1.
What is the InChIKey of 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is QPVTYUPLDSSTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10(2)15-9-12-8-7-11-5-3-4-6-13(11)14-12/h3-6,10,12,14H,7-9H2,1-2H3.
What are the key properties of 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline?
2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 221.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115104451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).