benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate

C16H17NO3S — CID 164672364

IUPACbenzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCO[C@H](c2cccs2)C1
InChIInChI=1S/C16H17NO3S/c18-16(20-12-13-5-2-1-3-6-13)17-8-9-19-14(11-17)15-7-4-10-21-15/h1-7,10,14H,8-9,11-12H2/t14-/m0/s1
InChIKeyWICYVWOAECRGFZ-AWEZNQCLSA-N
MW303.38 g/mol
LogP3.46
Rot. Bonds3

About benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate

benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate (PubChem CID 164672364) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate
PubChem CID164672364
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Namebenzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCO[C@H](c2cccs2)C1
InChIInChI=1S/C16H17NO3S/c18-16(20-12-13-5-2-1-3-6-13)17-8-9-19-14(11-17)15-7-4-10-21-15/h1-7,10,14H,8-9,11-12H2/t14-/m0/s1
InChIKeyWICYVWOAECRGFZ-AWEZNQCLSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate?
The IUPAC name of benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate (CID 164672364) is benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate?
The canonical SMILES for benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate is O=C(OCc1ccccc1)N1CCO[C@H](c2cccs2)C1.
What is the InChIKey of benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate?
The InChIKey is WICYVWOAECRGFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(20-12-13-5-2-1-3-6-13)17-8-9-19-14(11-17)15-7-4-10-21-15/h1-7,10,14H,8-9,11-12H2/t14-/m0/s1.
What are the key properties of benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate?
benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-thiophen-2-ylmorpholine-4-carboxylate is sourced from PubChem (CID 164672364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).