N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide

C13H17N3O2S — CID 43546001

IUPACN-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc2ncccc2c1
InChIInChI=1S/C13H17N3O2S/c1-19(17,18)16-8-7-14-10-11-4-5-13-12(9-11)3-2-6-15-13/h2-6,9,14,16H,7-8,10H2,1H3
InChIKeyDXYKYGSBSSLISA-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.87
Rot. Bonds6

About N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide

N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide (PubChem CID 43546001) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
PubChem CID43546001
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccc2ncccc2c1
InChIInChI=1S/C13H17N3O2S/c1-19(17,18)16-8-7-14-10-11-4-5-13-12(9-11)3-2-6-15-13/h2-6,9,14,16H,7-8,10H2,1H3
InChIKeyDXYKYGSBSSLISA-UHFFFAOYSA-N
XLogP0.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.87
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-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
CID 61070929
3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115639548
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613
N-[2-[(3-cyano-4-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 107880066
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 136538713

Frequently Asked Questions

What is the IUPAC name of N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide (CID 43546001) is N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1ccc2ncccc2c1.
What is the InChIKey of N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide?
The InChIKey is DXYKYGSBSSLISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-19(17,18)16-8-7-14-10-11-4-5-13-12(9-11)3-2-6-15-13/h2-6,9,14,16H,7-8,10H2,1H3.
What are the key properties of N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide?
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43546001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).