2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid

C10H13NO3S2 — CID 2811522

IUPAC2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
SMILESCc1ccsc1CNC(=O)CSCC(=O)O
InChIInChI=1S/C10H13NO3S2/c1-7-2-3-16-8(7)4-11-9(12)5-15-6-10(13)14/h2-3H,4-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyBQPLLVTUCGXYLB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.49
Rot. Bonds6

About 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid

2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 2811522) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
PubChem CID2811522
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
SMILESCc1ccsc1CNC(=O)CSCC(=O)O
InChIInChI=1S/C10H13NO3S2/c1-7-2-3-16-8(7)4-11-9(12)5-15-6-10(13)14/h2-3H,4-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyBQPLLVTUCGXYLB-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid (CID 2811522) is 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid is Cc1ccsc1CNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is BQPLLVTUCGXYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-7-2-3-16-8(7)4-11-9(12)5-15-6-10(13)14/h2-3H,4-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 259.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 2811522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).