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

C7H15NOS2 — CID 147491542

IUPACN-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine
SMILESCOCN=C(CSC)CSC
InChIInChI=1S/C7H15NOS2/c1-9-6-8-7(4-10-2)5-11-3/h4-6H2,1-3H3
InChIKeyFFPSHJDUEJQPBN-UHFFFAOYSA-N
MW193.34 g/mol
LogP1.76
Rot. Bonds6

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

N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine (PubChem CID 147491542) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine.

Molecular Properties

Compound NameN-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine
PubChem CID147491542
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC NameN-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine
SMILESCOCN=C(CSC)CSC
InChIInChI=1S/C7H15NOS2/c1-9-6-8-7(4-10-2)5-11-3/h4-6H2,1-3H3
InChIKeyFFPSHJDUEJQPBN-UHFFFAOYSA-N
XLogP1.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine?
The IUPAC name of N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine (CID 147491542) is N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine.
What is the SMILES notation for N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine?
The canonical SMILES for N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine is COCN=C(CSC)CSC.
What is the InChIKey of N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine?
The InChIKey is FFPSHJDUEJQPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-9-6-8-7(4-10-2)5-11-3/h4-6H2,1-3H3.
What are the key properties of N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine?
N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine has a molecular weight of 193.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1,3-bis(methylsulfanyl)propan-2-imine is sourced from PubChem (CID 147491542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).