N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide

C10H16N2O3S3 — CID 23035750

IUPACN-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide
SMILESCCC1C(=O)NC1SC(=O)SSCCNC(C)=O
InChIInChI=1S/C10H16N2O3S3/c1-3-7-8(14)12-9(7)17-10(15)18-16-5-4-11-6(2)13/h7,9H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLWXFEONOVRVXMI-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.84
Rot. Bonds6

About N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide

N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide (PubChem CID 23035750) has the molecular formula C10H16N2O3S3 and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide
PubChem CID23035750
Molecular FormulaC10H16N2O3S3
Molecular Weight308.45 g/mol
Exact Mass308.03
IUPAC NameN-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide
SMILESCCC1C(=O)NC1SC(=O)SSCCNC(C)=O
InChIInChI=1S/C10H16N2O3S3/c1-3-7-8(14)12-9(7)17-10(15)18-16-5-4-11-6(2)13/h7,9H,3-5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLWXFEONOVRVXMI-UHFFFAOYSA-N
XLogP1.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide (CID 23035750) is N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide is CCC1C(=O)NC1SC(=O)SSCCNC(C)=O.
What is the InChIKey of N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide?
The InChIKey is LWXFEONOVRVXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S3/c1-3-7-8(14)12-9(7)17-10(15)18-16-5-4-11-6(2)13/h7,9H,3-5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide?
N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide has a molecular weight of 308.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethyl-4-oxoazetidin-2-yl)sulfanylcarbonyldisulfanyl]ethyl]acetamide is sourced from PubChem (CID 23035750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).