4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide

C17H21N3S — CID 43669635

IUPAC4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide
SMILESCCC1CCCCN1c1c(C(N)=S)cnc2ccccc12
InChIInChI=1S/C17H21N3S/c1-2-12-7-5-6-10-20(12)16-13-8-3-4-9-15(13)19-11-14(16)17(18)21/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H2,18,21)
InChIKeyAPKCIQGTZIXSEQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.64
Rot. Bonds3

About 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide

4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide (PubChem CID 43669635) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide
PubChem CID43669635
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide
SMILESCCC1CCCCN1c1c(C(N)=S)cnc2ccccc12
InChIInChI=1S/C17H21N3S/c1-2-12-7-5-6-10-20(12)16-13-8-3-4-9-15(13)19-11-14(16)17(18)21/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H2,18,21)
InChIKeyAPKCIQGTZIXSEQ-UHFFFAOYSA-N
XLogP3.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.64
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

4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
CID 115316995
4-(azepan-1-yl)quinoline-3-carbothioamide
CID 43669568
4-(2,5-dimethylmorpholin-4-yl)quinoline-3-carbothioamide
CID 43669671
4-(3-methoxypiperidin-1-yl)quinoline-3-carbothioamide
CID 102957995
4-thiomorpholin-4-ylquinoline-3-carbothioamide
CID 43669618
2-chloro-4-(2-ethylpiperidin-1-yl)benzenecarbothioamide
CID 62946953
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
3-amino-2-(2-ethylpiperidin-1-yl)benzamide
CID 112578014
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbothioamide
CID 43669686
4-(cycloheptylamino)quinoline-3-carbothioamide
CID 43669629
4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide
CID 43669639
4-(butan-2-ylamino)quinoline-3-carbothioamide
CID 43669556

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide (CID 43669635) is 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide is CCC1CCCCN1c1c(C(N)=S)cnc2ccccc12.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide?
The InChIKey is APKCIQGTZIXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-2-12-7-5-6-10-20(12)16-13-8-3-4-9-15(13)19-11-14(16)17(18)21/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H2,18,21).
What are the key properties of 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide?
4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide has a molecular weight of 299.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide is sourced from PubChem (CID 43669635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).