2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid

C10H15N3O3S — CID 66444195

IUPAC2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid
SMILESCc1nonc1CN1CCSCC1CC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-7-9(12-16-11-7)5-13-2-3-17-6-8(13)4-10(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyBRIPFKLXWKIDAQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.77
Rot. Bonds4

About 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid

2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66444195) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid
PubChem CID66444195
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid
SMILESCc1nonc1CN1CCSCC1CC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-7-9(12-16-11-7)5-13-2-3-17-6-8(13)4-10(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyBRIPFKLXWKIDAQ-UHFFFAOYSA-N
XLogP0.77
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid (CID 66444195) is 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid is Cc1nonc1CN1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is BRIPFKLXWKIDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-9(12-16-11-7)5-13-2-3-17-6-8(13)4-10(14)15/h8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid?
2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).