1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide

C16H22N2OS — CID 82522253

IUPAC1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
SMILESNC(=S)c1cc2c(n(C3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C16H22N2OS/c17-15(20)13-10-11-6-4-5-9-14(11)18(16(13)19)12-7-2-1-3-8-12/h10,12H,1-9H2,(H2,17,20)
InChIKeyJICCLPJLOJNKGH-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.87
Rot. Bonds2

About 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide

1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide (PubChem CID 82522253) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide.

Molecular Properties

Compound Name1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
PubChem CID82522253
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
SMILESNC(=S)c1cc2c(n(C3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C16H22N2OS/c17-15(20)13-10-11-6-4-5-9-14(11)18(16(13)19)12-7-2-1-3-8-12/h10,12H,1-9H2,(H2,17,20)
InChIKeyJICCLPJLOJNKGH-UHFFFAOYSA-N
XLogP2.87
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82523116
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
CID 82522241
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 82522239
1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
CID 82521558
2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
CID 82522250
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522879
1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522859
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085
3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522451
1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82522466

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The IUPAC name of 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide (CID 82522253) is 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide.
What is the SMILES notation for 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The canonical SMILES for 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide is NC(=S)c1cc2c(n(C3CCCCC3)c1=O)CCCC2.
What is the InChIKey of 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The InChIKey is JICCLPJLOJNKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c17-15(20)13-10-11-6-4-5-9-14(11)18(16(13)19)12-7-2-1-3-8-12/h10,12H,1-9H2,(H2,17,20).
What are the key properties of 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide has a molecular weight of 290.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide is sourced from PubChem (CID 82522253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).