1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide

C13H18N2O4S2 — CID 63931452

IUPAC1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C13H18N2O4S2/c16-20(17)7-5-12(9-20)21(18,19)15-11-4-3-10-2-1-6-14-13(10)8-11/h3-4,8,12,14-15H,1-2,5-7,9H2
InChIKeyJUSNPANBQGHAGR-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.97
Rot. Bonds3

About 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide

1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide (PubChem CID 63931452) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
PubChem CID63931452
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C13H18N2O4S2/c16-20(17)7-5-12(9-20)21(18,19)15-11-4-3-10-2-1-6-14-13(10)8-11/h3-4,8,12,14-15H,1-2,5-7,9H2
InChIKeyJUSNPANBQGHAGR-UHFFFAOYSA-N
XLogP0.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827654
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
4-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-sulfonamide
CID 63930609
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 43361376
2-methylsulfonyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)ethanesulfonamide
CID 63928943
N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103777911
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102693598
2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 63928946
2-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoic acid
CID 63931455
N-cycloheptyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 82933808
1,1-dioxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiolane-3-sulfonamide
CID 80547650

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide (CID 63931452) is 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccc3c(c2)NCCC3)C1.
What is the InChIKey of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide?
The InChIKey is JUSNPANBQGHAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c16-20(17)7-5-12(9-20)21(18,19)15-11-4-3-10-2-1-6-14-13(10)8-11/h3-4,8,12,14-15H,1-2,5-7,9H2.
What are the key properties of 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide?
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide has a molecular weight of 330.43 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide is sourced from PubChem (CID 63931452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).