propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate

C17H24N2O4S — CID 4066658

IUPACpropan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate
SMILESCCC(Sc1ncccc1C(=O)OC(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O4S/c1-4-14(16(20)19-8-10-22-11-9-19)24-15-13(6-5-7-18-15)17(21)23-12(2)3/h5-7,12,14H,4,8-11H2,1-3H3
InChIKeyIHJLCUCDYUPUMK-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.38
Rot. Bonds6

About propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate

propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate (PubChem CID 4066658) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate
PubChem CID4066658
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namepropan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate
SMILESCCC(Sc1ncccc1C(=O)OC(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O4S/c1-4-14(16(20)19-8-10-22-11-9-19)24-15-13(6-5-7-18-15)17(21)23-12(2)3/h5-7,12,14H,4,8-11H2,1-3H3
InChIKeyIHJLCUCDYUPUMK-UHFFFAOYSA-N
XLogP2.38
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate (CID 4066658) is propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate is CCC(Sc1ncccc1C(=O)OC(C)C)C(=O)N1CCOCC1.
What is the InChIKey of propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate?
The InChIKey is IHJLCUCDYUPUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-14(16(20)19-8-10-22-11-9-19)24-15-13(6-5-7-18-15)17(21)23-12(2)3/h5-7,12,14H,4,8-11H2,1-3H3.
What are the key properties of propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate?
propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 4066658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).