4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide

C15H21N3O2S — CID 106057837

IUPAC4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C15H21N3O2S/c1-12-11-15(13-7-3-4-8-14(13)17-12)18-21(19,20)10-6-5-9-16-2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyVSDFHGVZKFGGBU-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.28
Rot. Bonds7

About 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide

4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide (PubChem CID 106057837) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide
PubChem CID106057837
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C15H21N3O2S/c1-12-11-15(13-7-3-4-8-14(13)17-12)18-21(19,20)10-6-5-9-16-2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyVSDFHGVZKFGGBU-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.28
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

2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
CID 75430530
4-(methylamino)-N-[2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 106057256
N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629143
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide?
The IUPAC name of 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide (CID 106057837) is 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1cc(C)nc2ccccc12.
What is the InChIKey of 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide?
The InChIKey is VSDFHGVZKFGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-11-15(13-7-3-4-8-14(13)17-12)18-21(19,20)10-6-5-9-16-2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide?
4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 106057837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).