N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide

C13H20N4O2S2 — CID 115987178

IUPACN-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C13H20N4O2S2/c1-10(9-20-4)16(3)21(18,19)13-12(14-2)15-11-7-5-6-8-17(11)13/h5-8,10,14H,9H2,1-4H3
InChIKeyYIEVIWJBCCZCJQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.75
Rot. Bonds6

About N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide

N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 115987178) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID115987178
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C13H20N4O2S2/c1-10(9-20-4)16(3)21(18,19)13-12(14-2)15-11-7-5-6-8-17(11)13/h5-8,10,14H,9H2,1-4H3
InChIKeyYIEVIWJBCCZCJQ-UHFFFAOYSA-N
XLogP1.75
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 115987178) is N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide is CNc1nc2ccccn2c1S(=O)(=O)N(C)C(C)CSC.
What is the InChIKey of N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is YIEVIWJBCCZCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-10(9-20-4)16(3)21(18,19)13-12(14-2)15-11-7-5-6-8-17(11)13/h5-8,10,14H,9H2,1-4H3.
What are the key properties of N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 115987178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).