N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide

C14H19N3O2S2 — CID 115987134

IUPACN-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
SMILESCNc1ccc2cc(S(=O)(=O)N(C)CCSC)ccc2n1
InChIInChI=1S/C14H19N3O2S2/c1-15-14-7-4-11-10-12(5-6-13(11)16-14)21(18,19)17(2)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyIDRHBLSQKVCKTJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.26
Rot. Bonds6

About N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide

N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide (PubChem CID 115987134) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
PubChem CID115987134
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
SMILESCNc1ccc2cc(S(=O)(=O)N(C)CCSC)ccc2n1
InChIInChI=1S/C14H19N3O2S2/c1-15-14-7-4-11-10-12(5-6-13(11)16-14)21(18,19)17(2)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyIDRHBLSQKVCKTJ-UHFFFAOYSA-N
XLogP2.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115985763
N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 114263597
2-hydrazinyl-N-(2-hydroxyethyl)-N-methylquinoline-6-sulfonamide
CID 60961716
N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide
CID 43456727
N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide
CID 62145303
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 115573675
N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide
CID 114238260
3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656600
4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988407
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667293
N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
CID 115408548
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide
CID 62143741

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide (CID 115987134) is N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide is CNc1ccc2cc(S(=O)(=O)N(C)CCSC)ccc2n1.
What is the InChIKey of N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide?
The InChIKey is IDRHBLSQKVCKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-15-14-7-4-11-10-12(5-6-13(11)16-14)21(18,19)17(2)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide?
N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 115987134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).