2-[methyl(thian-3-yl)amino]acetic acid

C8H15NO2S — CID 65056589

IUPAC2-[methyl(thian-3-yl)amino]acetic acid
SMILESCN(CC(=O)O)C1CCCSC1
InChIInChI=1S/C8H15NO2S/c1-9(5-8(10)11)7-3-2-4-12-6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyVJUFXVCLFDENML-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.90
Rot. Bonds3

About 2-[methyl(thian-3-yl)amino]acetic acid

2-[methyl(thian-3-yl)amino]acetic acid (PubChem CID 65056589) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-[methyl(thian-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(thian-3-yl)amino]acetic acid
PubChem CID65056589
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-[methyl(thian-3-yl)amino]acetic acid
SMILESCN(CC(=O)O)C1CCCSC1
InChIInChI=1S/C8H15NO2S/c1-9(5-8(10)11)7-3-2-4-12-6-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyVJUFXVCLFDENML-UHFFFAOYSA-N
XLogP0.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thian-3-yl)amino]acetic acid?
The IUPAC name of 2-[methyl(thian-3-yl)amino]acetic acid (CID 65056589) is 2-[methyl(thian-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(thian-3-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl(thian-3-yl)amino]acetic acid is CN(CC(=O)O)C1CCCSC1.
What is the InChIKey of 2-[methyl(thian-3-yl)amino]acetic acid?
The InChIKey is VJUFXVCLFDENML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-9(5-8(10)11)7-3-2-4-12-6-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[methyl(thian-3-yl)amino]acetic acid?
2-[methyl(thian-3-yl)amino]acetic acid has a molecular weight of 189.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thian-3-yl)amino]acetic acid is sourced from PubChem (CID 65056589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).