N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide

C14H20N4O2S — CID 106333831

IUPACN-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
SMILESCc1cc(NCCCNS(C)(=O)=O)c2cc(N)ccc2n1
InChIInChI=1S/C14H20N4O2S/c1-10-8-14(16-6-3-7-17-21(2,19)20)12-9-11(15)4-5-13(12)18-10/h4-5,8-9,17H,3,6-7,15H2,1-2H3,(H,16,18)
InChIKeyYBEDOBNATVBHGK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.48
Rot. Bonds6

About N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide

N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 106333831) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
PubChem CID106333831
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
SMILESCc1cc(NCCCNS(C)(=O)=O)c2cc(N)ccc2n1
InChIInChI=1S/C14H20N4O2S/c1-10-8-14(16-6-3-7-17-21(2,19)20)12-9-11(15)4-5-13(12)18-10/h4-5,8-9,17H,3,6-7,15H2,1-2H3,(H,16,18)
InChIKeyYBEDOBNATVBHGK-UHFFFAOYSA-N
XLogP1.48
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide
CID 106333784
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
N,N-bis[3-[(6-chloro-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
CID 58807209
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
CID 107846198
methyl 5-amino-2-[3-(methanesulfonamido)propylamino]benzoate
CID 106341818
N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
CID 3132199
2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
CID 22417903
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide (CID 106333831) is N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide is Cc1cc(NCCCNS(C)(=O)=O)c2cc(N)ccc2n1.
What is the InChIKey of N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is YBEDOBNATVBHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-8-14(16-6-3-7-17-21(2,19)20)12-9-11(15)4-5-13(12)18-10/h4-5,8-9,17H,3,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106333831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).