N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide

C20H29N3O2S — CID 45210111

IUPACN-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESCC(C)(C)CN1CCCC(CNS(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)15-23-12-6-7-16(14-23)13-22-26(24,25)18-10-4-8-17-9-5-11-21-19(17)18/h4-5,8-11,16,22H,6-7,12-15H2,1-3H3
InChIKeyKAOMHXJAISWPGV-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.27
Rot. Bonds5

About N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide

N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide (PubChem CID 45210111) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
PubChem CID45210111
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESCC(C)(C)CN1CCCC(CNS(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)15-23-12-6-7-16(14-23)13-22-26(24,25)18-10-4-8-17-9-5-11-21-19(17)18/h4-5,8-11,16,22H,6-7,12-15H2,1-3H3
InChIKeyKAOMHXJAISWPGV-UHFFFAOYSA-N
XLogP3.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45178644
N-[[(3R)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42514082
N-[[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42193690
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 72878212
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95218558
N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920880
N-cycloheptylquinoline-8-sulfonamide
CID 3244108

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide (CID 45210111) is N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide is CC(C)(C)CN1CCCC(CNS(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is KAOMHXJAISWPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-20(2,3)15-23-12-6-7-16(14-23)13-22-26(24,25)18-10-4-8-17-9-5-11-21-19(17)18/h4-5,8-11,16,22H,6-7,12-15H2,1-3H3.
What are the key properties of N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 375.54 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 45210111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).