3-(thiophen-2-ylamino)-3H-furan-2-one

C8H7NO2S — CID 170458365

IUPAC3-(thiophen-2-ylamino)-3H-furan-2-one
SMILESO=C1OC=CC1Nc1cccs1
InChIInChI=1S/C8H7NO2S/c10-8-6(3-4-11-8)9-7-2-1-5-12-7/h1-6,9H
InChIKeyMUYZNDKZRIPQNF-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.60
Rot. Bonds2

About 3-(thiophen-2-ylamino)-3H-furan-2-one

3-(thiophen-2-ylamino)-3H-furan-2-one (PubChem CID 170458365) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 3-(thiophen-2-ylamino)-3H-furan-2-one.

Molecular Properties

Compound Name3-(thiophen-2-ylamino)-3H-furan-2-one
PubChem CID170458365
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name3-(thiophen-2-ylamino)-3H-furan-2-one
SMILESO=C1OC=CC1Nc1cccs1
InChIInChI=1S/C8H7NO2S/c10-8-6(3-4-11-8)9-7-2-1-5-12-7/h1-6,9H
InChIKeyMUYZNDKZRIPQNF-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thienylglycine
CID 21071957
(2S)-2-(thiophen-2-ylamino)propanoic acid
CID 18339629
2-Thienyl-DL-alanine
CID 18378025
Thienylalanine ethyl ester
CID 18391602
Thienyl-serine
CID 54412027
Thienyl-DL-alanine ethyl ester
CID 21851071
Thienyl-DL-alanine ethyl ester hydrochloride
CID 129689928
5-{[2-(Ethenyloxy)ethyl]-amino}thiophene
CID 132276195
3-Hydroxy-2-(thiophen-2-ylamino)propanoic acid
CID 17815789
Cyclopentyl 2-(thiophen-2-ylamino)acetate
CID 18415694
Methyl 2-(thiophen-2-ylamino)propanoate
CID 19094227
2-(Thiophen-2-ylamino)propanoic acid;hydrochloride
CID 19743657

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylamino)-3H-furan-2-one?
The IUPAC name of 3-(thiophen-2-ylamino)-3H-furan-2-one (CID 170458365) is 3-(thiophen-2-ylamino)-3H-furan-2-one.
What is the SMILES notation for 3-(thiophen-2-ylamino)-3H-furan-2-one?
The canonical SMILES for 3-(thiophen-2-ylamino)-3H-furan-2-one is O=C1OC=CC1Nc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylamino)-3H-furan-2-one?
The InChIKey is MUYZNDKZRIPQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-8-6(3-4-11-8)9-7-2-1-5-12-7/h1-6,9H.
What are the key properties of 3-(thiophen-2-ylamino)-3H-furan-2-one?
3-(thiophen-2-ylamino)-3H-furan-2-one has a molecular weight of 181.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylamino)-3H-furan-2-one is sourced from PubChem (CID 170458365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).