N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide

C10H12N2O2S2 — CID 54290142

IUPACN-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@@H]1C(=O)N[C@@H]1CS
InChIInChI=1S/C10H12N2O2S2/c13-8(4-6-2-1-3-16-6)12-9-7(5-15)11-10(9)14/h1-3,7,9,15H,4-5H2,(H,11,14)(H,12,13)/t7-,9+/m1/s1
InChIKeyRWXZIPUSFRUIDI-APPZFPTMSA-N
MW256.35 g/mol
LogP0.20
Rot. Bonds4

About N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide

N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 54290142) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID54290142
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC NameN-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@@H]1C(=O)N[C@@H]1CS
InChIInChI=1S/C10H12N2O2S2/c13-8(4-6-2-1-3-16-6)12-9-7(5-15)11-10(9)14/h1-3,7,9,15H,4-5H2,(H,11,14)(H,12,13)/t7-,9+/m1/s1
InChIKeyRWXZIPUSFRUIDI-APPZFPTMSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide (CID 54290142) is N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N[C@@H]1C(=O)N[C@@H]1CS.
What is the InChIKey of N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is RWXZIPUSFRUIDI-APPZFPTMSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c13-8(4-6-2-1-3-16-6)12-9-7(5-15)11-10(9)14/h1-3,7,9,15H,4-5H2,(H,11,14)(H,12,13)/t7-,9+/m1/s1.
What are the key properties of N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide?
N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 256.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-2-oxo-4-(sulfanylmethyl)azetidin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 54290142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).