N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

C17H24N2S — CID 116508561

IUPACN-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC1Cc2ccccc2N(C(=S)NC2CCCCC2)C1
InChIInChI=1S/C17H24N2S/c1-13-11-14-7-5-6-10-16(14)19(12-13)17(20)18-15-8-3-2-4-9-15/h5-7,10,13,15H,2-4,8-9,11-12H2,1H3,(H,18,20)
InChIKeyWTDLNLUFXROEJA-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.89
Rot. Bonds1

About N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 116508561) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID116508561
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC1Cc2ccccc2N(C(=S)NC2CCCCC2)C1
InChIInChI=1S/C17H24N2S/c1-13-11-14-7-5-6-10-16(14)19(12-13)17(20)18-15-8-3-2-4-9-15/h5-7,10,13,15H,2-4,8-9,11-12H2,1H3,(H,18,20)
InChIKeyWTDLNLUFXROEJA-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 115612180
N-cyclopentyl-2,3-dihydroindole-1-carbothioamide
CID 19686662
3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 115612179
cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
CID 55225246
(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 8619560
N-cyclopentyl-4-methyl-2,3-dihydroquinoxaline-1-carbothioamide
CID 116508696
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
CID 63530964
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200030
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 116508561) is N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is CC1Cc2ccccc2N(C(=S)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is WTDLNLUFXROEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13-11-14-7-5-6-10-16(14)19(12-13)17(20)18-15-8-3-2-4-9-15/h5-7,10,13,15H,2-4,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 288.46 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 116508561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).