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

C12H16N4O2S2 — CID 103064599

IUPAC2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C12H16N4O2S2/c1-13-11-12(16-6-3-2-4-10(16)14-11)20(17,18)15-9-5-7-19-8-9/h2-4,6,9,13,15H,5,7-8H2,1H3
InChIKeyQWVCDVKCPORCNG-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.16
Rot. Bonds4

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

2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 103064599) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID103064599
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C12H16N4O2S2/c1-13-11-12(16-6-3-2-4-10(16)14-11)20(17,18)15-9-5-7-19-8-9/h2-4,6,9,13,15H,5,7-8H2,1H3
InChIKeyQWVCDVKCPORCNG-UHFFFAOYSA-N
XLogP1.16
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 103064599) is 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is CNc1nc2ccccn2c1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is QWVCDVKCPORCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-13-11-12(16-6-3-2-4-10(16)14-11)20(17,18)15-9-5-7-19-8-9/h2-4,6,9,13,15H,5,7-8H2,1H3.
What are the key properties of 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 103064599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).