N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine

C7H15NS3 — CID 123277845

IUPACN-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine
SMILESCC=C/C(=N\C)S(C)(S)SC
InChIInChI=1S/C7H15NS3/c1-5-6-7(8-2)11(4,9)10-3/h5-6,9H,1-4H3/b6-5?,8-7+
InChIKeyNBFMKUAXVWAPEP-GCSGCOTJSA-N
MW209.41 g/mol
LogP3.15
Rot. Bonds2

About N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine

N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine (PubChem CID 123277845) has the molecular formula C7H15NS3 and a molecular weight of 209.41 g/mol. Its IUPAC name is N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine
PubChem CID123277845
Molecular FormulaC7H15NS3
Molecular Weight209.41 g/mol
Exact Mass209.04
IUPAC NameN-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine
SMILESCC=C/C(=N\C)S(C)(S)SC
InChIInChI=1S/C7H15NS3/c1-5-6-7(8-2)11(4,9)10-3/h5-6,9H,1-4H3/b6-5?,8-7+
InChIKeyNBFMKUAXVWAPEP-GCSGCOTJSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Prop-1-en-1-yl)-4,5-dihydro-1,3-thiazole
CID 129752043
methyl 2-(methylsulfanyl)-N-methylbuta-2,3-dienimidothioate
CID 129752168
methyl N-methylbuta-2,3-dienimidothioate
CID 129864867
2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
CID 89114959
[(E)-prop-1-enyl] N-methylethanimidothioate
CID 89266207
methyl N-methylprop-2-enimidothioate
CID 91101058
5-methylsulfanyl-2H-pyrrole
CID 123149328
methyl N-methylbut-2-enimidothioate
CID 123791195
prop-1-enyl N-methylethanimidothioate
CID 124034581
methylsulfanyl (2Z)-N-methylpenta-2,4-dienimidothioate
CID 126587390
sulfanyl (Z)-N-methylbut-2-enimidothioate
CID 126592725
ethane;methylsulfanyl (Z)-N-ethylbut-2-enimidothioate
CID 141779159

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine?
The IUPAC name of N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine (CID 123277845) is N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine.
What is the SMILES notation for N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine?
The canonical SMILES for N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine is CC=C/C(=N\C)S(C)(S)SC.
What is the InChIKey of N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine?
The InChIKey is NBFMKUAXVWAPEP-GCSGCOTJSA-N. The full InChI is InChI=1S/C7H15NS3/c1-5-6-7(8-2)11(4,9)10-3/h5-6,9H,1-4H3/b6-5?,8-7+.
What are the key properties of N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine?
N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine has a molecular weight of 209.41 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(methyl-methylsulfanyl-sulfanyl-λ4-sulfanyl)but-2-en-1-imine is sourced from PubChem (CID 123277845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).