N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide

C6H15N3O2S2 — CID 87922080

IUPACN-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide
SMILESNCCSSCCNC(=O)CON
InChIInChI=1S/C6H15N3O2S2/c7-1-3-12-13-4-2-9-6(10)5-11-8/h1-5,7-8H2,(H,9,10)
InChIKeyDHMBHNYOCRYSBL-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.67
Rot. Bonds8

About N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide

N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide (PubChem CID 87922080) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide
PubChem CID87922080
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC NameN-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide
SMILESNCCSSCCNC(=O)CON
InChIInChI=1S/C6H15N3O2S2/c7-1-3-12-13-4-2-9-6(10)5-11-8/h1-5,7-8H2,(H,9,10)
InChIKeyDHMBHNYOCRYSBL-UHFFFAOYSA-N
XLogP-0.67
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-aminoethyldisulfanyl)ethyl]-N'-[2-[2-[[5-[2-(2-aminoethyldisulfanyl)ethylamino]-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]pentanediamide
CID 56675271
N-[2-(2-aminoethyldisulfanyl)ethyl]-N'-[2-[2-[[5-[2-(2-aminoethyldisulfanyl)ethylamino]-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]pentanediamide;dihydrochloride
CID 90664806
carbamoyloxymethyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate
CID 20700602
methyl 4-[2-(2-aminoethyldisulfanyl)ethylamino]-4-oxobut-2-enoate
CID 173062524
N-[3-[2-(2-aminoethyldisulfanyl)ethylamino]-3-oxopropyl]-4-hydroxy-3,3-dimethylbutanamide
CID 138497832
N-[2-(2-aminoethyldisulfanyl)ethyl]-8-(2-methoxyethoxy)-4-oxooctanamide
CID 162123460
3-[2-[[2-(3-fluoropropoxy)acetyl]amino]ethyldisulfanyl]propanoic acid
CID 166331088
methyl 5-[4-[2-(2-aminoethyldisulfanyl)ethylamino]-4-oxobut-1-enoxy]pentanoate
CID 59146433
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
6-[(2-aminooxyacetyl)amino]-2-methylhexanamide;molecular hydrogen
CID 159782051
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide?
The IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide (CID 87922080) is N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide.
What is the SMILES notation for N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide?
The canonical SMILES for N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide is NCCSSCCNC(=O)CON.
What is the InChIKey of N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide?
The InChIKey is DHMBHNYOCRYSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c7-1-3-12-13-4-2-9-6(10)5-11-8/h1-5,7-8H2,(H,9,10).
What are the key properties of N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide?
N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide has a molecular weight of 225.34 g/mol, XLogP of -0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyldisulfanyl)ethyl]-2-aminooxyacetamide is sourced from PubChem (CID 87922080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).