N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide

C14H19N3O2S — CID 106335672

IUPACN,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1cccc2cccnc12
InChIInChI=1S/C14H19N3O2S/c1-17(2)20(18,19)10-9-15-11-13-6-3-5-12-7-4-8-16-14(12)13/h3-8,15H,9-11H2,1-2H3
InChIKeyDOCDVINDUHZPPN-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.22
Rot. Bonds6

About N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide

N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide (PubChem CID 106335672) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide
PubChem CID106335672
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCc1cccc2cccnc12
InChIInChI=1S/C14H19N3O2S/c1-17(2)20(18,19)10-9-15-11-13-6-3-5-12-7-4-8-16-14(12)13/h3-8,15H,9-11H2,1-2H3
InChIKeyDOCDVINDUHZPPN-UHFFFAOYSA-N
XLogP1.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Sumatriptan
CID 5358
Almotriptan
CID 123606
Naratriptan
CID 4440
Naratriptan Hydrochloride
CID 60875
8-Methylquinoline
CID 11910
8-(Methylsulfonylamino)quinoline
CID 151506
4-Aminoquinoline
CID 68476
8-Quinolinesulfonamide
CID 94464
quinolinium, 2-methyl-1-(3-sulfopropyl)-, inner salt
CID 103914
Quinoline, 8-ethyl-
CID 88185
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide (CID 106335672) is N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide is CN(C)S(=O)(=O)CCNCc1cccc2cccnc12.
What is the InChIKey of N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide?
The InChIKey is DOCDVINDUHZPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-17(2)20(18,19)10-9-15-11-13-6-3-5-12-7-4-8-16-14(12)13/h3-8,15H,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide?
N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(quinolin-8-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 106335672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).