N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide

C18H25N3O2S — CID 71997450

IUPACN-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cccc3ncccc23)C(C)C1
InChIInChI=1S/C18H25N3O2S/c1-4-21-12-10-17(14(2)13-21)20(3)24(22,23)18-9-5-8-16-15(18)7-6-11-19-16/h5-9,11,14,17H,4,10,12-13H2,1-3H3
InChIKeySWBYJJDDYXSHNL-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.59
Rot. Bonds4

About N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide

N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide (PubChem CID 71997450) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide
PubChem CID71997450
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cccc3ncccc23)C(C)C1
InChIInChI=1S/C18H25N3O2S/c1-4-21-12-10-17(14(2)13-21)20(3)24(22,23)18-9-5-8-16-15(18)7-6-11-19-16/h5-9,11,14,17H,4,10,12-13H2,1-3H3
InChIKeySWBYJJDDYXSHNL-UHFFFAOYSA-N
XLogP2.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 62157571
N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 104774274
N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide
CID 104773510
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
CID 81242168
N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 115902785
N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
CID 119993724
N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide
CID 113451725
3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one
CID 114500121
1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
5-(4-bromopiperidin-1-yl)sulfonylquinoline
CID 104774213
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 61046113
1-quinolin-5-ylsulfonylpiperidin-4-amine
CID 115752090

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide?
The IUPAC name of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide (CID 71997450) is N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide is CCN1CCC(N(C)S(=O)(=O)c2cccc3ncccc23)C(C)C1.
What is the InChIKey of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide?
The InChIKey is SWBYJJDDYXSHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-21-12-10-17(14(2)13-21)20(3)24(22,23)18-9-5-8-16-15(18)7-6-11-19-16/h5-9,11,14,17H,4,10,12-13H2,1-3H3.
What are the key properties of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide?
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide has a molecular weight of 347.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide is sourced from PubChem (CID 71997450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).