tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate

C14H24N4O3S — CID 124874813

IUPACtert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate
SMILESCN(C)c1noc(CN2CCSC[C@@H]2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O3S/c1-14(2,3)20-12(19)10-9-22-7-6-18(10)8-11-15-13(16-21-11)17(4)5/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyWOEYIPQSVMAAJX-SNVBAGLBSA-N
MW328.44 g/mol
LogP1.39
Rot. Bonds4

About tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate

tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate (PubChem CID 124874813) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate
PubChem CID124874813
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Nametert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate
SMILESCN(C)c1noc(CN2CCSC[C@@H]2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O3S/c1-14(2,3)20-12(19)10-9-22-7-6-18(10)8-11-15-13(16-21-11)17(4)5/h10H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyWOEYIPQSVMAAJX-SNVBAGLBSA-N
XLogP1.39
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate?
The IUPAC name of tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate (CID 124874813) is tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate.
What is the SMILES notation for tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate?
The canonical SMILES for tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate is CN(C)c1noc(CN2CCSC[C@@H]2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate?
The InChIKey is WOEYIPQSVMAAJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-14(2,3)20-12(19)10-9-22-7-6-18(10)8-11-15-13(16-21-11)17(4)5/h10H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate?
tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate has a molecular weight of 328.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate is sourced from PubChem (CID 124874813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).