3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride

C15H20ClN3O2S — CID 119960624

IUPAC3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)NC3CCNCC3)cccc2c1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-11-9-12-3-2-4-14(15(12)17-10-11)21(19,20)18-13-5-7-16-8-6-13;/h2-4,9-10,13,16,18H,5-8H2,1H3;1H
InChIKeyYREQQSOXLRKJQC-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.00
Rot. Bonds3

About 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride

3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride (PubChem CID 119960624) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
PubChem CID119960624
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)NC3CCNCC3)cccc2c1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-11-9-12-3-2-4-14(15(12)17-10-11)21(19,20)18-13-5-7-16-8-6-13;/h2-4,9-10,13,16,18H,5-8H2,1H3;1H
InChIKeyYREQQSOXLRKJQC-UHFFFAOYSA-N
XLogP2.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride
CID 120726393
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775
3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
CID 119977178
3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide
CID 99817276
N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
CID 119986825
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
CID 120585099
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
CID 119976613
2-methyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960629
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylquinoline-8-sulfonamide
CID 42941371
N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide
CID 30746930
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride (CID 119960624) is 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride is Cc1cnc2c(S(=O)(=O)NC3CCNCC3)cccc2c1.Cl.
What is the InChIKey of 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride?
The InChIKey is YREQQSOXLRKJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-11-9-12-3-2-4-14(15(12)17-10-11)21(19,20)18-13-5-7-16-8-6-13;/h2-4,9-10,13,16,18H,5-8H2,1H3;1H.
What are the key properties of 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride?
3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 119960624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).