4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine

C13H18N2O2S2 — CID 43119943

IUPAC4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCSCC1
InChIInChI=1S/C13H18N2O2S2/c16-19(17,15-6-8-18-9-7-15)12-3-4-13-11(10-12)2-1-5-14-13/h3-4,10,14H,1-2,5-9H2
InChIKeyJVDCJIXCPUPBJJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.78
Rot. Bonds2

About 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine

4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine (PubChem CID 43119943) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
PubChem CID43119943
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCSCC1
InChIInChI=1S/C13H18N2O2S2/c16-19(17,15-6-8-18-9-7-15)12-3-4-13-11(10-12)2-1-5-14-13/h3-4,10,14H,1-2,5-9H2
InChIKeyJVDCJIXCPUPBJJ-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779
4-methyl-1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-4-ol
CID 81108199
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 106315307
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43119875
6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 22692421
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
CID 81108203
[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol
CID 61407456
1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol
CID 106836439
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine (CID 43119943) is 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine is O=S(=O)(c1ccc2c(c1)CCCN2)N1CCSCC1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine?
The InChIKey is JVDCJIXCPUPBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c16-19(17,15-6-8-18-9-7-15)12-3-4-13-11(10-12)2-1-5-14-13/h3-4,10,14H,1-2,5-9H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine?
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine has a molecular weight of 298.43 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine is sourced from PubChem (CID 43119943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).