3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride

C16H22ClN3O2S — CID 120726393

IUPAC3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)NC3CCCNC3C)cccc2c1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-11-9-13-5-3-7-15(16(13)18-10-11)22(20,21)19-14-6-4-8-17-12(14)2;/h3,5,7,9-10,12,14,17,19H,4,6,8H2,1-2H3;1H
InChIKeyLKKIZCKENRWMQI-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.38
Rot. Bonds3

About 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride

3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride (PubChem CID 120726393) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride
PubChem CID120726393
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)NC3CCCNC3C)cccc2c1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-11-9-13-5-3-7-15(16(13)18-10-11)22(20,21)19-14-6-4-8-17-12(14)2;/h3,5,7,9-10,12,14,17,19H,4,6,8H2,1-2H3;1H
InChIKeyLKKIZCKENRWMQI-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
CID 119960624
8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
CID 120725603
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775
3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
CID 119977178
N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
CID 119986825

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride (CID 120726393) is 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride is Cc1cnc2c(S(=O)(=O)NC3CCCNC3C)cccc2c1.Cl.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride?
The InChIKey is LKKIZCKENRWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-11-9-13-5-3-7-15(16(13)18-10-11)22(20,21)19-14-6-4-8-17-12(14)2;/h3,5,7,9-10,12,14,17,19H,4,6,8H2,1-2H3;1H.
What are the key properties of 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride?
3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 120726393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).