1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline

C15H22N2O2S — CID 110865729

IUPAC1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1CCCN(S(=O)(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C15H22N2O2S/c1-13-6-4-10-16(12-13)20(18,19)17-11-5-8-14-7-2-3-9-15(14)17/h2-3,7,9,13H,4-6,8,10-12H2,1H3
InChIKeyOMIHAJFMZKVXFE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.42
Rot. Bonds2

About 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline

1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 110865729) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID110865729
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1CCCN(S(=O)(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C15H22N2O2S/c1-13-6-4-10-16(12-13)20(18,19)17-11-5-8-14-7-2-3-9-15(14)17/h2-3,7,9,13H,4-6,8,10-12H2,1H3
InChIKeyOMIHAJFMZKVXFE-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
CID 99817972
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622
4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110865728
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 24981846
1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
CID 58724133
2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109061546
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108505638
4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]
CID 102558277
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline (CID 110865729) is 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline is CC1CCCN(S(=O)(=O)N2CCCc3ccccc32)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is OMIHAJFMZKVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-13-6-4-10-16(12-13)20(18,19)17-11-5-8-14-7-2-3-9-15(14)17/h2-3,7,9,13H,4-6,8,10-12H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 294.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110865729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).