N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide

C13H20N4O3S — CID 62152632

IUPACN-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C13H20N4O3S/c1-10(2)17(8-9-18)21(19,20)13-12(14-3)15-11-6-4-5-7-16(11)13/h4-7,10,14,18H,8-9H2,1-3H3
InChIKeyMGSZIPFKQKJMOA-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.77
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide

N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 62152632) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID62152632
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC NameN-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCNc1nc2ccccn2c1S(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C13H20N4O3S/c1-10(2)17(8-9-18)21(19,20)13-12(14-3)15-11-6-4-5-7-16(11)13/h4-7,10,14,18H,8-9H2,1-3H3
InChIKeyMGSZIPFKQKJMOA-UHFFFAOYSA-N
XLogP0.77
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide (CID 62152632) is N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide is CNc1nc2ccccn2c1S(=O)(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is MGSZIPFKQKJMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-10(2)17(8-9-18)21(19,20)13-12(14-3)15-11-6-4-5-7-16(11)13/h4-7,10,14,18H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide?
N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 62152632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).