N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine

C6H13NOS2 — CID 118585398

IUPACN-methoxy-1,3-bis(methylsulfanyl)propan-2-imine
SMILESCON=C(CSC)CSC
InChIInChI=1S/C6H13NOS2/c1-8-7-6(4-9-2)5-10-3/h4-5H2,1-3H3
InChIKeyHZDVSNYUFOCWFY-UHFFFAOYSA-N
MW179.31 g/mol
LogP1.71
Rot. Bonds5

About N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine

N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine (PubChem CID 118585398) has the molecular formula C6H13NOS2 and a molecular weight of 179.31 g/mol. Its IUPAC name is N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine.

Molecular Properties

Compound NameN-methoxy-1,3-bis(methylsulfanyl)propan-2-imine
PubChem CID118585398
Molecular FormulaC6H13NOS2
Molecular Weight179.31 g/mol
Exact Mass179.04
IUPAC NameN-methoxy-1,3-bis(methylsulfanyl)propan-2-imine
SMILESCON=C(CSC)CSC
InChIInChI=1S/C6H13NOS2/c1-8-7-6(4-9-2)5-10-3/h4-5H2,1-3H3
InChIKeyHZDVSNYUFOCWFY-UHFFFAOYSA-N
XLogP1.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine?
The IUPAC name of N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine (CID 118585398) is N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine.
What is the SMILES notation for N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine?
The canonical SMILES for N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine is CON=C(CSC)CSC.
What is the InChIKey of N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine?
The InChIKey is HZDVSNYUFOCWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS2/c1-8-7-6(4-9-2)5-10-3/h4-5H2,1-3H3.
What are the key properties of N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine?
N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine has a molecular weight of 179.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,3-bis(methylsulfanyl)propan-2-imine is sourced from PubChem (CID 118585398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).