2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide

C12H16N2O2S — CID 24705308

IUPAC2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1cccc2c1CCCN2
InChIInChI=1S/C12H16N2O2S/c15-17(16)9-3-8-14(17)12-6-1-5-11-10(12)4-2-7-13-11/h1,5-6,13H,2-4,7-9H2
InChIKeyCMYADABUSMJJGD-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.58
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide

2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 24705308) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID24705308
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1cccc2c1CCCN2
InChIInChI=1S/C12H16N2O2S/c15-17(16)9-3-8-14(17)12-6-1-5-11-10(12)4-2-7-13-11/h1,5-6,13H,2-4,7-9H2
InChIKeyCMYADABUSMJJGD-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214682
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82749910
4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 81218136
(1,1-dioxo-1,4-thiazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 104954785
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione
CID 103500228
1-methyl-3,4,5,6-tetrahydro-2λ6,1,6-benzothiadiazocine 2,2-dioxide
CID 117015554
5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 102965800
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one
CID 81428484
5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215404
2-(2,3-dimethylphenyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015173
3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 81214470

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide (CID 24705308) is 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1cccc2c1CCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CMYADABUSMJJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-17(16)9-3-8-14(17)12-6-1-5-11-10(12)4-2-7-13-11/h1,5-6,13H,2-4,7-9H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide?
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 252.34 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 24705308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).