4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid

C14H15NO3S — CID 56892703

IUPAC4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2cc3ccccc3s2)CCO1
InChIInChI=1S/C14H15NO3S/c16-14(17)12-9-15(5-6-18-12)8-11-7-10-3-1-2-4-13(10)19-11/h1-4,7,12H,5-6,8-9H2,(H,16,17)
InChIKeyNFQGXZFNNUARSG-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.19
Rot. Bonds3

About 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid

4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid (PubChem CID 56892703) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid
PubChem CID56892703
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2cc3ccccc3s2)CCO1
InChIInChI=1S/C14H15NO3S/c16-14(17)12-9-15(5-6-18-12)8-11-7-10-3-1-2-4-13(10)19-11/h1-4,7,12H,5-6,8-9H2,(H,16,17)
InChIKeyNFQGXZFNNUARSG-UHFFFAOYSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid (CID 56892703) is 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid is O=C(O)C1CN(Cc2cc3ccccc3s2)CCO1.
What is the InChIKey of 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The InChIKey is NFQGXZFNNUARSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-14(17)12-9-15(5-6-18-12)8-11-7-10-3-1-2-4-13(10)19-11/h1-4,7,12H,5-6,8-9H2,(H,16,17).
What are the key properties of 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid?
4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 56892703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).