N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide

C6H12N2OS2 — CID 91271844

IUPACN-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide
SMILESC/C=N\NC(=O)CCSSC
InChIInChI=1S/C6H12N2OS2/c1-3-7-8-6(9)4-5-11-10-2/h3H,4-5H2,1-2H3,(H,8,9)/b7-3-
InChIKeyVFVUJUGDYBQNDB-CLTKARDFSA-N
MW192.31 g/mol
LogP1.51
Rot. Bonds5

About N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide

N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide (PubChem CID 91271844) has the molecular formula C6H12N2OS2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide
PubChem CID91271844
Molecular FormulaC6H12N2OS2
Molecular Weight192.31 g/mol
Exact Mass192.04
IUPAC NameN-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide
SMILESC/C=N\NC(=O)CCSSC
InChIInChI=1S/C6H12N2OS2/c1-3-7-8-6(9)4-5-11-10-2/h3H,4-5H2,1-2H3,(H,8,9)/b7-3-
InChIKeyVFVUJUGDYBQNDB-CLTKARDFSA-N
XLogP1.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.51
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide
CID 155582380
acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane
CID 172937135
CID 145098123
CID 145098123
N-[3-(dimethylamino)propyl]-3-(methyldisulfanyl)propanamide
CID 89390385
N,N'-bis(but-2-enylideneamino)hexanediamide
CID 4148126
6-(2,5-dioxopyrrol-1-yl)-N-[(E)-2-(methyldisulfanyl)ethylideneamino]hexanamide
CID 126759100
1-(methyldisulfanyl)pentan-3-one
CID 91237691
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
CID 26864550
N-(ethylideneamino)-2-[[5-[2-(2-ethylidenehydrazinyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4170580
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N,N'-bis(butylideneamino)heptanediamide
CID 4260370

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide?
The IUPAC name of N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide (CID 91271844) is N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide.
What is the SMILES notation for N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide?
The canonical SMILES for N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide is C/C=N\NC(=O)CCSSC.
What is the InChIKey of N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide?
The InChIKey is VFVUJUGDYBQNDB-CLTKARDFSA-N. The full InChI is InChI=1S/C6H12N2OS2/c1-3-7-8-6(9)4-5-11-10-2/h3H,4-5H2,1-2H3,(H,8,9)/b7-3-.
What are the key properties of N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide?
N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide has a molecular weight of 192.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide is sourced from PubChem (CID 91271844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).