tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate

C14H24N2O4S — CID 168707579

IUPACtert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CN2CC(S)CC2=O)C1
InChIInChI=1S/C14H24N2O4S/c1-14(2,3)20-13(18)15-4-5-19-10(7-15)8-16-9-11(21)6-12(16)17/h10-11,21H,4-9H2,1-3H3/t10-,11?/m0/s1
InChIKeyZFPFPCLJVUDVRI-VUWPPUDQSA-N
MW316.42 g/mol
LogP1.15
Rot. Bonds2

About tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate (PubChem CID 168707579) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate
PubChem CID168707579
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Nametert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](CN2CC(S)CC2=O)C1
InChIInChI=1S/C14H24N2O4S/c1-14(2,3)20-13(18)15-4-5-19-10(7-15)8-16-9-11(21)6-12(16)17/h10-11,21H,4-9H2,1-3H3/t10-,11?/m0/s1
InChIKeyZFPFPCLJVUDVRI-VUWPPUDQSA-N
XLogP1.15
TPSA59.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-[(3-ethoxycarbonyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]morpholine-4-carboxylate
CID 142565028
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-2-yl]acetic acid
CID 177337580
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456
tert-butyl 2-[(4-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567737
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
tert-butyl (2S)-2-(benzylsulfonylmethyl)morpholine-4-carboxylate
CID 141474930

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate (CID 168707579) is tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H](CN2CC(S)CC2=O)C1.
What is the InChIKey of tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate?
The InChIKey is ZFPFPCLJVUDVRI-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-14(2,3)20-13(18)15-4-5-19-10(7-15)8-16-9-11(21)6-12(16)17/h10-11,21H,4-9H2,1-3H3/t10-,11?/m0/s1.
What are the key properties of tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate has a molecular weight of 316.42 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 168707579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).