1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide

C14H18N2O3S — CID 64911727

IUPAC1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide
SMILESO=C(NC1CNc2ccccc2C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O3S/c17-14(11-5-6-20(18,19)9-11)16-12-7-10-3-1-2-4-13(10)15-8-12/h1-4,11-12,15H,5-9H2,(H,16,17)
InChIKeyZMDCANDBYDIOAH-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.57
Rot. Bonds2

About 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide

1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide (PubChem CID 64911727) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide
PubChem CID64911727
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide
SMILESO=C(NC1CNc2ccccc2C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O3S/c17-14(11-5-6-20(18,19)9-11)16-12-7-10-3-1-2-4-13(10)15-8-12/h1-4,11-12,15H,5-9H2,(H,16,17)
InChIKeyZMDCANDBYDIOAH-UHFFFAOYSA-N
XLogP0.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)oxolane-3-carboxamide
CID 114824868
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
CID 130638230
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901425
ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
CID 19697803
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,1-dioxothiolane-3-carboxamide
CID 64912129
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 43392962
N-(1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24698231
4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 43823004
N-cyclobutyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105454816
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 106500916
N-(1,2,3,4-tetrahydroquinolin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43823005

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide (CID 64911727) is 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide is O=C(NC1CNc2ccccc2C1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide?
The InChIKey is ZMDCANDBYDIOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14(11-5-6-20(18,19)9-11)16-12-7-10-3-1-2-4-13(10)15-8-12/h1-4,11-12,15H,5-9H2,(H,16,17).
What are the key properties of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide?
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide is sourced from PubChem (CID 64911727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).