3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide

C8H15N3O2S2 — CID 155582380

IUPAC3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide
SMILESC/C=N/NC(=O)CCSSCCC(N)=O
InChIInChI=1S/C8H15N3O2S2/c1-2-10-11-8(13)4-6-15-14-5-3-7(9)12/h2H,3-6H2,1H3,(H2,9,12)(H,11,13)/b10-2+
InChIKeyXROISZXHTCVPIO-WTDSWWLTSA-N
MW249.36 g/mol
LogP0.76
Rot. Bonds8

About 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide

3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide (PubChem CID 155582380) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide.

Molecular Properties

Compound Name3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide
PubChem CID155582380
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC Name3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide
SMILESC/C=N/NC(=O)CCSSCCC(N)=O
InChIInChI=1S/C8H15N3O2S2/c1-2-10-11-8(13)4-6-15-14-5-3-7(9)12/h2H,3-6H2,1H3,(H2,9,12)(H,11,13)/b10-2+
InChIKeyXROISZXHTCVPIO-WTDSWWLTSA-N
XLogP0.76
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 145098123
CID 145098123
N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide
CID 91271844
acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane
CID 172937135
3-(methylaminodisulfanyl)propanamide
CID 138457429
N,N'-bis(but-2-enylideneamino)hexanediamide
CID 4148126
N-(ethylideneamino)-2-[[5-[2-(2-ethylidenehydrazinyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4170580
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide
CID 143941275
1-N'-(ethylideneamino)ethene-1,1-diamine
CID 58774645
CID 87661495
CID 87661495
N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
CID 26864550
ethane;N'-hydroxyoctanediamide
CID 144754010

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide?
The IUPAC name of 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide (CID 155582380) is 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide.
What is the SMILES notation for 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide?
The canonical SMILES for 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide is C/C=N/NC(=O)CCSSCCC(N)=O.
What is the InChIKey of 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide?
The InChIKey is XROISZXHTCVPIO-WTDSWWLTSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-2-10-11-8(13)4-6-15-14-5-3-7(9)12/h2H,3-6H2,1H3,(H2,9,12)(H,11,13)/b10-2+.
What are the key properties of 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide?
3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide has a molecular weight of 249.36 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide is sourced from PubChem (CID 155582380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).