N',N'-bis(prop-2-enyldisulfanyl)oxamide

C8H12N2O2S4 — CID 23350294

IUPACN',N'-bis(prop-2-enyldisulfanyl)oxamide
SMILESC=CCSSN(SSCC=C)C(=O)C(N)=O
InChIInChI=1S/C8H12N2O2S4/c1-3-5-13-15-10(8(12)7(9)11)16-14-6-4-2/h3-4H,1-2,5-6H2,(H2,9,11)
InChIKeyRPSXNAMJYHAXIF-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.27
Rot. Bonds8

About N',N'-bis(prop-2-enyldisulfanyl)oxamide

N',N'-bis(prop-2-enyldisulfanyl)oxamide (PubChem CID 23350294) has the molecular formula C8H12N2O2S4 and a molecular weight of 296.46 g/mol. Its IUPAC name is N',N'-bis(prop-2-enyldisulfanyl)oxamide.

Molecular Properties

Compound NameN',N'-bis(prop-2-enyldisulfanyl)oxamide
PubChem CID23350294
Molecular FormulaC8H12N2O2S4
Molecular Weight296.46 g/mol
Exact Mass295.98
IUPAC NameN',N'-bis(prop-2-enyldisulfanyl)oxamide
SMILESC=CCSSN(SSCC=C)C(=O)C(N)=O
InChIInChI=1S/C8H12N2O2S4/c1-3-5-13-15-10(8(12)7(9)11)16-14-6-4-2/h3-4H,1-2,5-6H2,(H2,9,11)
InChIKeyRPSXNAMJYHAXIF-UHFFFAOYSA-N
XLogP2.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(prop-2-enyldisulfanyl)oxamide
CID 21150695

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(prop-2-enyldisulfanyl)oxamide?
The IUPAC name of N',N'-bis(prop-2-enyldisulfanyl)oxamide (CID 23350294) is N',N'-bis(prop-2-enyldisulfanyl)oxamide.
What is the SMILES notation for N',N'-bis(prop-2-enyldisulfanyl)oxamide?
The canonical SMILES for N',N'-bis(prop-2-enyldisulfanyl)oxamide is C=CCSSN(SSCC=C)C(=O)C(N)=O.
What is the InChIKey of N',N'-bis(prop-2-enyldisulfanyl)oxamide?
The InChIKey is RPSXNAMJYHAXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S4/c1-3-5-13-15-10(8(12)7(9)11)16-14-6-4-2/h3-4H,1-2,5-6H2,(H2,9,11).
What are the key properties of N',N'-bis(prop-2-enyldisulfanyl)oxamide?
N',N'-bis(prop-2-enyldisulfanyl)oxamide has a molecular weight of 296.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(prop-2-enyldisulfanyl)oxamide is sourced from PubChem (CID 23350294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).