N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide

C17H23N3O2S — CID 120666371

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide
SMILESCC1(C)CCCNC1CNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C17H23N3O2S/c1-17(2)9-5-11-19-16(17)12-20-23(21,22)15-8-3-7-14-13(15)6-4-10-18-14/h3-4,6-8,10,16,19-20H,5,9,11-12H2,1-2H3
InChIKeyZQGMAGPDTPGZPW-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.29
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide (PubChem CID 120666371) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide
PubChem CID120666371
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide
SMILESCC1(C)CCCNC1CNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C17H23N3O2S/c1-17(2)9-5-11-19-16(17)12-20-23(21,22)15-8-3-7-14-13(15)6-4-10-18-14/h3-4,6-8,10,16,19-20H,5,9,11-12H2,1-2H3
InChIKeyZQGMAGPDTPGZPW-UHFFFAOYSA-N
XLogP2.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)quinoline-5-sulfonamide
CID 115752247
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trifluorobenzenesulfonamide
CID 120714107
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide
CID 114749841
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
CID 120670665
N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide
CID 120666406
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 120666342
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
methyl 3-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]benzoate;hydrochloride
CID 120666424
N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide
CID 86780686
N-(3-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
4-chloro-N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315562

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide (CID 120666371) is N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide is CC1(C)CCCNC1CNS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide?
The InChIKey is ZQGMAGPDTPGZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2)9-5-11-19-16(17)12-20-23(21,22)15-8-3-7-14-13(15)6-4-10-18-14/h3-4,6-8,10,16,19-20H,5,9,11-12H2,1-2H3.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide is sourced from PubChem (CID 120666371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).