2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid

C8H9NO3S2 — CID 104570094

IUPAC2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccsc1
InChIInChI=1S/C8H9NO3S2/c10-7(4-14-5-8(11)12)9-6-1-2-13-3-6/h1-3H,4-5H2,(H,9,10)(H,11,12)
InChIKeyRNYWGMGAIGTYHB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.50
Rot. Bonds5

About 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid

2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid (PubChem CID 104570094) has the molecular formula C8H9NO3S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid
PubChem CID104570094
Molecular FormulaC8H9NO3S2
Molecular Weight231.30 g/mol
Exact Mass231.00
IUPAC Name2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccsc1
InChIInChI=1S/C8H9NO3S2/c10-7(4-14-5-8(11)12)9-6-1-2-13-3-6/h1-3H,4-5H2,(H,9,10)(H,11,12)
InChIKeyRNYWGMGAIGTYHB-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-6-(thiophen-3-ylamino)hexanoic acid
CID 66350156
2-[2-[4-(methoxycarbonylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569386
2-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]sulfanylacetic acid
CID 107587552
2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
CID 2739288
2-[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 115575099
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
N-thiophen-3-ylbutanamide
CID 57133126
2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetic acid
CID 115569395
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237534
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 710279
2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569378

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid (CID 104570094) is 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1ccsc1.
What is the InChIKey of 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid?
The InChIKey is RNYWGMGAIGTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S2/c10-7(4-14-5-8(11)12)9-6-1-2-13-3-6/h1-3H,4-5H2,(H,9,10)(H,11,12).
What are the key properties of 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid?
2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid has a molecular weight of 231.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid is sourced from PubChem (CID 104570094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).