2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide

C15H20N4OS — CID 62093647

IUPAC2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
SMILESNC(=S)c1cc2c(nc1NC1CCCNC1=O)CCCC2
InChIInChI=1S/C15H20N4OS/c16-13(21)10-8-9-4-1-2-5-11(9)18-14(10)19-12-6-3-7-17-15(12)20/h8,12H,1-7H2,(H2,16,21)(H,17,20)(H,18,19)
InChIKeyLALJXDCUWGRNDQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.29
Rot. Bonds3

About 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide

2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide (PubChem CID 62093647) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide.

Molecular Properties

Compound Name2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
PubChem CID62093647
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
SMILESNC(=S)c1cc2c(nc1NC1CCCNC1=O)CCCC2
InChIInChI=1S/C15H20N4OS/c16-13(21)10-8-9-4-1-2-5-11(9)18-14(10)19-12-6-3-7-17-15(12)20/h8,12H,1-7H2,(H2,16,21)(H,17,20)(H,18,19)
InChIKeyLALJXDCUWGRNDQ-UHFFFAOYSA-N
XLogP1.29
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide with MolForge

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Related Compounds

6-methyl-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbothioamide
CID 62093480
2-(2-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63605925
2-[(2-methylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 63519220
2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 64733311
4-[(2-oxopiperidin-3-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 62093476
2-(2,2-dimethylhydrazinyl)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 83016628
2-(3,3-dimethylbutan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 104828428
2-[(2-oxopiperidin-3-yl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 62093477
3-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]amino]piperidin-2-one
CID 114074414
2-[(1-methylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 106023919
5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
CID 114047149
2-(heptan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63519072

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The IUPAC name of 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide (CID 62093647) is 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide.
What is the SMILES notation for 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The canonical SMILES for 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide is NC(=S)c1cc2c(nc1NC1CCCNC1=O)CCCC2.
What is the InChIKey of 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
The InChIKey is LALJXDCUWGRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-13(21)10-8-9-4-1-2-5-11(9)18-14(10)19-12-6-3-7-17-15(12)20/h8,12H,1-7H2,(H2,16,21)(H,17,20)(H,18,19).
What are the key properties of 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide?
2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide has a molecular weight of 304.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxopiperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide is sourced from PubChem (CID 62093647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).