N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide

C14H19N3O2S — CID 105378256

IUPACN-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1ccc2cc(CNCCNS(C)(=O)=O)ccc2n1
InChIInChI=1S/C14H19N3O2S/c1-11-3-5-13-9-12(4-6-14(13)17-11)10-15-7-8-16-20(2,18)19/h3-6,9,15-16H,7-8,10H2,1-2H3
InChIKeyJHEPJQLIKCOILN-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.18
Rot. Bonds6

About N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide

N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 105378256) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
PubChem CID105378256
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1ccc2cc(CNCCNS(C)(=O)=O)ccc2n1
InChIInChI=1S/C14H19N3O2S/c1-11-3-5-13-9-12(4-6-14(13)17-11)10-15-7-8-16-20(2,18)19/h3-6,9,15-16H,7-8,10H2,1-2H3
InChIKeyJHEPJQLIKCOILN-UHFFFAOYSA-N
XLogP1.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378704
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
N,N-dimethyl-2-[(2-methylquinolin-6-yl)methylamino]acetamide
CID 105378280
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
CID 105378350
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide (CID 105378256) is N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide is Cc1ccc2cc(CNCCNS(C)(=O)=O)ccc2n1.
What is the InChIKey of N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is JHEPJQLIKCOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-3-5-13-9-12(4-6-14(13)17-11)10-15-7-8-16-20(2,18)19/h3-6,9,15-16H,7-8,10H2,1-2H3.
What are the key properties of N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 105378256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).