4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one

C8H9NOS2 — CID 54187790

IUPAC4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one
SMILESO=C1CC(SCc2cccs2)N1
InChIInChI=1S/C8H9NOS2/c10-7-4-8(9-7)12-5-6-2-1-3-11-6/h1-3,8H,4-5H2,(H,9,10)
InChIKeyPGHZSBDNIZNTIC-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.83
Rot. Bonds3

About 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one

4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one (PubChem CID 54187790) has the molecular formula C8H9NOS2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one.

Molecular Properties

Compound Name4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one
PubChem CID54187790
Molecular FormulaC8H9NOS2
Molecular Weight199.30 g/mol
Exact Mass199.01
IUPAC Name4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one
SMILESO=C1CC(SCc2cccs2)N1
InChIInChI=1S/C8H9NOS2/c10-7-4-8(9-7)12-5-6-2-1-3-11-6/h1-3,8H,4-5H2,(H,9,10)
InChIKeyPGHZSBDNIZNTIC-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(cyclopentylsulfanylmethyl)thiophene
CID 130677399
2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane
CID 127000169
2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide
CID 142631268
2-(methylsulfanylmethyl)thiophene
CID 12872111
3-cyclopropyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883454
3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63291448
2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465528
3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64884033
5-benzyl-4-thiophen-2-ylpyrrolidin-2-one
CID 66104822
7-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882972
2-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465503
3-(2-thiophen-2-ylethyl)pyrrolidin-2-one
CID 104679380

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one?
The IUPAC name of 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one (CID 54187790) is 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one.
What is the SMILES notation for 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one?
The canonical SMILES for 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one is O=C1CC(SCc2cccs2)N1.
What is the InChIKey of 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one?
The InChIKey is PGHZSBDNIZNTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS2/c10-7-4-8(9-7)12-5-6-2-1-3-11-6/h1-3,8H,4-5H2,(H,9,10).
What are the key properties of 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one?
4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one has a molecular weight of 199.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one is sourced from PubChem (CID 54187790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).