5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

C15H22N2O2S — CID 104773704

IUPAC5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C15H22N2O2S/c1-12-7-10-17(11-8-12)20(18,19)15-6-2-5-14-13(15)4-3-9-16-14/h2,5-6,12,16H,3-4,7-11H2,1H3
InChIKeyIXHMQJJTDWHRHJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.47
Rot. Bonds2

About 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 104773704) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID104773704
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C15H22N2O2S/c1-12-7-10-17(11-8-12)20(18,19)15-6-2-5-14-13(15)4-3-9-16-14/h2,5-6,12,16H,3-4,7-11H2,1H3
InChIKeyIXHMQJJTDWHRHJ-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 114678742
5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773713
5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773796
5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 104773733
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 104773938
5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773901
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773743
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773789
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710
N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773905
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773741

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (CID 104773704) is 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is CC1CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is IXHMQJJTDWHRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12-7-10-17(11-8-12)20(18,19)15-6-2-5-14-13(15)4-3-9-16-14/h2,5-6,12,16H,3-4,7-11H2,1H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 294.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 104773704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).