1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine

C17H23N3O2S — CID 119974886

IUPAC1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)c2cccnc12
InChIInChI=1S/C17H23N3O2S/c1-12-5-6-16(15-4-3-9-19-17(12)15)23(21,22)20-10-7-14(8-11-20)13(2)18/h3-6,9,13-14H,7-8,10-11,18H2,1-2H3
InChIKeyVFECYAIZUKECAM-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.29
Rot. Bonds3

About 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine

1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine (PubChem CID 119974886) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
PubChem CID119974886
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)c2cccnc12
InChIInChI=1S/C17H23N3O2S/c1-12-5-6-16(15-4-3-9-19-17(12)15)23(21,22)20-10-7-14(8-11-20)13(2)18/h3-6,9,13-14H,7-8,10-11,18H2,1-2H3
InChIKeyVFECYAIZUKECAM-UHFFFAOYSA-N
XLogP2.29
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
8-(p-Toluenesulfonylamino)quinoline
CID 82533
iso-H 7
CID 1352
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline
CID 449240
N-(4-isopropylphenyl)quinoline-8-sulfonamide
CID 4093866
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
CID 2870276
4-methyl-N-quinolin-6-ylbenzenesulfonamide
CID 268975
8-(4-Methylpiperazin-1-yl)sulfonylquinoline
CID 671587

Frequently Asked Questions

What is the IUPAC name of 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine (CID 119974886) is 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine is Cc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)c2cccnc12.
What is the InChIKey of 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine?
The InChIKey is VFECYAIZUKECAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-5-6-16(15-4-3-9-19-17(12)15)23(21,22)20-10-7-14(8-11-20)13(2)18/h3-6,9,13-14H,7-8,10-11,18H2,1-2H3.
What are the key properties of 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine?
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine has a molecular weight of 333.46 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 119974886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).