methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate

C16H19N3O3S — CID 96508154

IUPACmethyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate
SMILESCOC(=O)C[C@H]1CSCCN1C(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C16H19N3O3S/c1-11-4-3-5-14-17-13(9-19(11)14)16(21)18-6-7-23-10-12(18)8-15(20)22-2/h3-5,9,12H,6-8,10H2,1-2H3/t12-/m0/s1
InChIKeyRSIQSLYQXALEKO-LBPRGKRZSA-N
MW333.41 g/mol
LogP1.76
Rot. Bonds3

About methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate

methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate (PubChem CID 96508154) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate
PubChem CID96508154
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Namemethyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate
SMILESCOC(=O)C[C@H]1CSCCN1C(=O)c1cn2c(C)cccc2n1
InChIInChI=1S/C16H19N3O3S/c1-11-4-3-5-14-17-13(9-19(11)14)16(21)18-6-7-23-10-12(18)8-15(20)22-2/h3-5,9,12H,6-8,10H2,1-2H3/t12-/m0/s1
InChIKeyRSIQSLYQXALEKO-LBPRGKRZSA-N
XLogP1.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate?
The IUPAC name of methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate (CID 96508154) is methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate is COC(=O)C[C@H]1CSCCN1C(=O)c1cn2c(C)cccc2n1.
What is the InChIKey of methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate?
The InChIKey is RSIQSLYQXALEKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-4-3-5-14-17-13(9-19(11)14)16(21)18-6-7-23-10-12(18)8-15(20)22-2/h3-5,9,12H,6-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate?
methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate has a molecular weight of 333.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate is sourced from PubChem (CID 96508154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).