[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate

C16H17NO3S — CID 174515356

IUPAC[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate
SMILESO=C(Oc1ccc(CN2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(13-4-2-1-3-5-13)20-15-7-6-14(21-15)12-17-8-10-19-11-9-17/h1-7H,8-12H2
InChIKeyPXJQCFXAUTXTMF-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.80
Rot. Bonds4

About [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate

[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate (PubChem CID 174515356) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate.

Molecular Properties

Compound Name[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate
PubChem CID174515356
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate
SMILESO=C(Oc1ccc(CN2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(13-4-2-1-3-5-13)20-15-7-6-14(21-15)12-17-8-10-19-11-9-17/h1-7H,8-12H2
InChIKeyPXJQCFXAUTXTMF-UHFFFAOYSA-N
XLogP2.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate?
The IUPAC name of [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate (CID 174515356) is [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate.
What is the SMILES notation for [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate?
The canonical SMILES for [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate is O=C(Oc1ccc(CN2CCOCC2)s1)c1ccccc1.
What is the InChIKey of [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate?
The InChIKey is PXJQCFXAUTXTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(13-4-2-1-3-5-13)20-15-7-6-14(21-15)12-17-8-10-19-11-9-17/h1-7H,8-12H2.
What are the key properties of [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate?
[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate has a molecular weight of 303.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate is sourced from PubChem (CID 174515356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).