6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline

C14H20N2O2S — CID 7064078

IUPAC6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCCCC1
InChIInChI=1S/C14H20N2O2S/c17-19(18,16-9-2-1-3-10-16)13-6-7-14-12(11-13)5-4-8-15-14/h6-7,11,15H,1-5,8-10H2
InChIKeyRDBWFNFOFIXMOK-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.22
Rot. Bonds2

About 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline

6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 7064078) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID7064078
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)CCCN2)N1CCCCC1
InChIInChI=1S/C14H20N2O2S/c17-19(18,16-9-2-1-3-10-16)13-6-7-14-12(11-13)5-4-8-15-14/h6-7,11,15H,1-5,8-10H2
InChIKeyRDBWFNFOFIXMOK-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
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
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942
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
[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol
CID 61407456
4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
CID 81108203
6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82098760
5-(azepan-1-ylsulfonyl)-2,3-dihydro-1H-isoindole
CID 107421717
1-[1-(2,3-dihydro-1H-indol-5-ylsulfonyl)piperidin-4-yl]ethanol
CID 106836439

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline (CID 7064078) is 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline is O=S(=O)(c1ccc2c(c1)CCCN2)N1CCCCC1.
What is the InChIKey of 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is RDBWFNFOFIXMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18,16-9-2-1-3-10-16)13-6-7-14-12(11-13)5-4-8-15-14/h6-7,11,15H,1-5,8-10H2.
What are the key properties of 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline?
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 280.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 7064078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).