N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide

C16H23N3O2S — CID 133388578

IUPACN,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNc1ccnc2c(C)cccc12
InChIInChI=1S/C16H23N3O2S/c1-4-19(5-2)22(20,21)12-11-17-15-9-10-18-16-13(3)7-6-8-14(15)16/h6-10H,4-5,11-12H2,1-3H3,(H,17,18)
InChIKeyYRMJRQFXEANLOU-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.63
Rot. Bonds7

About N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide

N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide (PubChem CID 133388578) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
PubChem CID133388578
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNc1ccnc2c(C)cccc12
InChIInChI=1S/C16H23N3O2S/c1-4-19(5-2)22(20,21)12-11-17-15-9-10-18-16-13(3)7-6-8-14(15)16/h6-10H,4-5,11-12H2,1-3H3,(H,17,18)
InChIKeyYRMJRQFXEANLOU-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
CID 133394536
8-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]quinolin-4-amine
CID 133388547
8-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368699
N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 133388801
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
8-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]quinolin-4-amine
CID 166198008
N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394459
2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388865
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
N-[2-[(8-fluoroquinolin-4-yl)amino]ethyl]ethanesulfonamide
CID 86807093

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide (CID 133388578) is N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide is CCN(CC)S(=O)(=O)CCNc1ccnc2c(C)cccc12.
What is the InChIKey of N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide?
The InChIKey is YRMJRQFXEANLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-19(5-2)22(20,21)12-11-17-15-9-10-18-16-13(3)7-6-8-14(15)16/h6-10H,4-5,11-12H2,1-3H3,(H,17,18).
What are the key properties of N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide?
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 133388578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).