N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide

C7H16NO2PS2 — CID 176611212

IUPACN-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSSCCCOP
InChIInChI=1S/C7H16NO2PS2/c1-7(9)8-3-6-13-12-5-2-4-10-11/h2-6,11H2,1H3,(H,8,9)
InChIKeyUBUZUTXHUOSCIE-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.70
Rot. Bonds8

About N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide

N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide (PubChem CID 176611212) has the molecular formula C7H16NO2PS2 and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide
PubChem CID176611212
Molecular FormulaC7H16NO2PS2
Molecular Weight241.32 g/mol
Exact Mass241.04
IUPAC NameN-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSSCCCOP
InChIInChI=1S/C7H16NO2PS2/c1-7(9)8-3-6-13-12-5-2-4-10-11/h2-6,11H2,1H3,(H,8,9)
InChIKeyUBUZUTXHUOSCIE-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
CID 87109583
S-(2-acetamidoethyl) (213C)ethanethioate
CID 46188004
N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide
CID 176611222
N-(3-acetamidopropyl)acetamide
CID 5147555
S-(2-acetamidoethyl) 5-oxohexanethioate
CID 125498006
N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide
CID 158907695
CID 59075972
CID 59075972
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
potassium 2-acetamidoethylsulfanylmethanedithioate
CID 23682911
N-(4-methylsulfanylbutyl)acetamide
CID 115635829
S-(2-acetamidoethyl) 8-(methoxycarbonylamino)octanethioate
CID 123548904
S-(2-acetamidoethyl) 8-aminooctanethioate
CID 155119307

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide?
The IUPAC name of N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide (CID 176611212) is N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide is CC(=O)NCCSSCCCOP.
What is the InChIKey of N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide?
The InChIKey is UBUZUTXHUOSCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2PS2/c1-7(9)8-3-6-13-12-5-2-4-10-11/h2-6,11H2,1H3,(H,8,9).
What are the key properties of N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide?
N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide has a molecular weight of 241.32 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide is sourced from PubChem (CID 176611212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).